3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine

C110H136N12O3S — CID 158078159

IUPAC3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(C)c1ccc(Cn2ccccc2=O)cc1.CC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1csc(-c2ccccc2)n1.COc1cc(C(C)C)ccc1Cn1ccccc1=O.Cc1cc(C)n(Cc2ccc(C(C)C)cc2)n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1cnn(Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H19NO2.C15H20N2.C15H17NO.C14H18N2.C13H16N2.C13H15N.C12H18N2.C12H13NS/c1-12(2)13-7-8-14(15(10-13)19-3)11-17-9-5-4-6-16(17)18;1-11(2)15-7-5-14(6-8-15)10-17-13(4)9-12(3)16-17;1-12(2)14-8-6-13(7-9-14)11-16-10-4-3-5-15(16)17;1-11(2)14-6-4-13(5-7-14)10-16-9-12(3)8-15-16;1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h4-10,12H,11H2,1-3H3;5-9,11H,10H2,1-4H3;3-10,12H,11H2,1-2H3;4-9,11H,10H2,1-3H3;3-9,11H,10H2,1-2H3;4-9H,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3
InChIKeyFMPVAYVSJGFEHW-UHFFFAOYSA-N
MW1706.45 g/mol
LogP26.54
Rot. Bonds21

About 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine

3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 158078159) has the molecular formula C110H136N12O3S and a molecular weight of 1706.45 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
PubChem CID158078159
Molecular FormulaC110H136N12O3S
Molecular Weight1706.45 g/mol
Exact Mass1705.06
IUPAC Name3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(C)c1ccc(Cn2ccccc2=O)cc1.CC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1csc(-c2ccccc2)n1.COc1cc(C(C)C)ccc1Cn1ccccc1=O.Cc1cc(C)n(Cc2ccc(C(C)C)cc2)n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1cnn(Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H19NO2.C15H20N2.C15H17NO.C14H18N2.C13H16N2.C13H15N.C12H18N2.C12H13NS/c1-12(2)13-7-8-14(15(10-13)19-3)11-17-9-5-4-6-16(17)18;1-11(2)15-7-5-14(6-8-15)10-17-13(4)9-12(3)16-17;1-12(2)14-8-6-13(7-9-14)11-16-10-4-3-5-15(16)17;1-11(2)14-6-4-13(5-7-14)10-16-9-12(3)8-15-16;1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h4-10,12H,11H2,1-3H3;5-9,11H,10H2,1-4H3;3-10,12H,11H2,1-2H3;4-9,11H,10H2,1-3H3;3-9,11H,10H2,1-2H3;4-9H,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3
InChIKeyFMPVAYVSJGFEHW-UHFFFAOYSA-N
XLogP26.54
TPSA148.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001706.45
LogP ≤ 526.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine with MolForge

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Related Compounds

1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 158777518
3,5-Dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;methane;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 157618331
3,5-Dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 160159177
3,5-Dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 160977028
3,5-Dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 161673772

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 158078159) is 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine is CC(C)c1ccc(Cn2ccccc2=O)cc1.CC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1csc(-c2ccccc2)n1.COc1cc(C(C)C)ccc1Cn1ccccc1=O.Cc1cc(C)n(Cc2ccc(C(C)C)cc2)n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1cnn(Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The InChIKey is FMPVAYVSJGFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C15H20N2.C15H17NO.C14H18N2.C13H16N2.C13H15N.C12H18N2.C12H13NS/c1-12(2)13-7-8-14(15(10-13)19-3)11-17-9-5-4-6-16(17)18;1-11(2)15-7-5-14(6-8-15)10-17-13(4)9-12(3)16-17;1-12(2)14-8-6-13(7-9-14)11-16-10-4-3-5-15(16)17;1-11(2)14-6-4-13(5-7-14)10-16-9-12(3)8-15-16;1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h4-10,12H,11H2,1-3H3;5-9,11H,10H2,1-4H3;3-10,12H,11H2,1-2H3;4-9,11H,10H2,1-3H3;3-9,11H,10H2,1-2H3;4-9H,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3.
What are the key properties of 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine?
3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 1706.45 g/mol, XLogP of 26.54, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 158078159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).