1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine

C101H110Cl8N16O2 — CID 162016676

IUPAC1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine
SMILESCC(C)c1ccc(-c2cnccn2)c(Cl)c1.CC(C)c1ccc(-c2cnco2)c(Cl)c1.CC(C)c1ccc(-c2ncccn2)c(Cl)c1.CC(C)c1ccc(-c2ncco2)c(Cl)c1.CC(C)c1ccc(-n2ccnc2)c(Cl)c1.CCc1cc(C)n(-c2ccc(C(C)C)cc2Cl)n1.Cc1ncn(-c2ccc(C(C)C)cc2Cl)n1.Cc1ncnn1-c1ccc(C(C)C)cc1Cl
InChIInChI=1S/C15H19ClN2.2C13H13ClN2.2C12H14ClN3.C12H13ClN2.2C12H12ClNO/c1-5-13-8-11(4)18(17-13)15-7-6-12(10(2)3)9-14(15)16;1-9(2)10-4-5-11(12(14)8-10)13-15-6-3-7-16-13;1-9(2)10-3-4-11(12(14)7-10)13-8-15-5-6-16-13;1-8(2)10-4-5-12(11(13)6-10)16-7-14-9(3)15-16;1-8(2)10-4-5-12(11(13)6-10)16-9(3)14-7-15-16;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-8(2)9-3-4-10(11(13)5-9)12-6-14-7-15-12;1-8(2)9-3-4-10(11(13)7-9)12-14-5-6-15-12/h6-10H,5H2,1-4H3;2*3-9H,1-2H3;2*4-8H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3
InChIKeyYUEWBGRNOARVNX-UHFFFAOYSA-N
MW1863.72 g/mol
LogP30.95
Rot. Bonds17

About 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine

1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine (PubChem CID 162016676) has the molecular formula C101H110Cl8N16O2 and a molecular weight of 1863.72 g/mol. Its IUPAC name is 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine
PubChem CID162016676
Molecular FormulaC101H110Cl8N16O2
Molecular Weight1863.72 g/mol
Exact Mass1858.65
IUPAC Name1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine
SMILESCC(C)c1ccc(-c2cnccn2)c(Cl)c1.CC(C)c1ccc(-c2cnco2)c(Cl)c1.CC(C)c1ccc(-c2ncccn2)c(Cl)c1.CC(C)c1ccc(-c2ncco2)c(Cl)c1.CC(C)c1ccc(-n2ccnc2)c(Cl)c1.CCc1cc(C)n(-c2ccc(C(C)C)cc2Cl)n1.Cc1ncn(-c2ccc(C(C)C)cc2Cl)n1.Cc1ncnn1-c1ccc(C(C)C)cc1Cl
InChIInChI=1S/C15H19ClN2.2C13H13ClN2.2C12H14ClN3.C12H13ClN2.2C12H12ClNO/c1-5-13-8-11(4)18(17-13)15-7-6-12(10(2)3)9-14(15)16;1-9(2)10-4-5-11(12(14)8-10)13-15-6-3-7-16-13;1-9(2)10-3-4-11(12(14)7-10)13-8-15-5-6-16-13;1-8(2)10-4-5-12(11(13)6-10)16-7-14-9(3)15-16;1-8(2)10-4-5-12(11(13)6-10)16-9(3)14-7-15-16;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-8(2)9-3-4-10(11(13)5-9)12-6-14-7-15-12;1-8(2)9-3-4-10(11(13)7-9)12-14-5-6-15-12/h6-10H,5H2,1-4H3;2*3-9H,1-2H3;2*4-8H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3
InChIKeyYUEWBGRNOARVNX-UHFFFAOYSA-N
XLogP30.95
TPSA200.68 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.72
LogP ≤ 530.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one
CID 160675724
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide
CID 157535080
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide
CID 158115235
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide
CID 158856451
2-[3-(6-Tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;5-[3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-1,3-oxazole;6-tert-butyl-3-(3-chloro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-chloro-5-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-(6-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-[3-(1-methylpyrrol-3-yl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 162177590
7-benzyl-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-methyltetrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167561100

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine?
The IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine (CID 162016676) is 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine.
What is the SMILES notation for 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine?
The canonical SMILES for 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine is CC(C)c1ccc(-c2cnccn2)c(Cl)c1.CC(C)c1ccc(-c2cnco2)c(Cl)c1.CC(C)c1ccc(-c2ncccn2)c(Cl)c1.CC(C)c1ccc(-c2ncco2)c(Cl)c1.CC(C)c1ccc(-n2ccnc2)c(Cl)c1.CCc1cc(C)n(-c2ccc(C(C)C)cc2Cl)n1.Cc1ncn(-c2ccc(C(C)C)cc2Cl)n1.Cc1ncnn1-c1ccc(C(C)C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine?
The InChIKey is YUEWBGRNOARVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2.2C13H13ClN2.2C12H14ClN3.C12H13ClN2.2C12H12ClNO/c1-5-13-8-11(4)18(17-13)15-7-6-12(10(2)3)9-14(15)16;1-9(2)10-4-5-11(12(14)8-10)13-15-6-3-7-16-13;1-9(2)10-3-4-11(12(14)7-10)13-8-15-5-6-16-13;1-8(2)10-4-5-12(11(13)6-10)16-7-14-9(3)15-16;1-8(2)10-4-5-12(11(13)6-10)16-9(3)14-7-15-16;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-8(2)9-3-4-10(11(13)5-9)12-6-14-7-15-12;1-8(2)9-3-4-10(11(13)7-9)12-14-5-6-15-12/h6-10H,5H2,1-4H3;2*3-9H,1-2H3;2*4-8H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3.
What are the key properties of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine?
1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine has a molecular weight of 1863.72 g/mol, XLogP of 30.95, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine is sourced from PubChem (CID 162016676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).