3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole

C15H18N4S — CID 56863066

IUPAC3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole
SMILESCc1ccsc1-c1nccn1CCc1c(C)n[nH]c1C
InChIInChI=1S/C15H18N4S/c1-10-5-9-20-14(10)15-16-6-8-19(15)7-4-13-11(2)17-18-12(13)3/h5-6,8-9H,4,7H2,1-3H3,(H,17,18)
InChIKeyMBFLOEUULFNNDO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.50
Rot. Bonds4

About 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole

3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole (PubChem CID 56863066) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole
PubChem CID56863066
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole
SMILESCc1ccsc1-c1nccn1CCc1c(C)n[nH]c1C
InChIInChI=1S/C15H18N4S/c1-10-5-9-20-14(10)15-16-6-8-19(15)7-4-13-11(2)17-18-12(13)3/h5-6,8-9H,4,7H2,1-3H3,(H,17,18)
InChIKeyMBFLOEUULFNNDO-UHFFFAOYSA-N
XLogP3.50
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11771684
US9669029, 94 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128196
US9669029, 85 8-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128188
3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 16676789
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 16676845
N~2~,N~4~-dimethyl-N~2~-{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}pyrimidine-2,4-diamine
CID 50955307
1-(5-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}-3-thienyl)-N,N-dimethylmethanamine
CID 56760491
1-[2-(1H-imidazol-4-yl)ethyl]-2-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1H-imidazole
CID 56869144
4-methyl-1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}-1H-1,2,3-triazole
CID 70748447
2-N,2-N-dimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 118741282
3-(1-Methylpyrazol-4-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 155556600
5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134810006

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole (CID 56863066) is 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole is Cc1ccsc1-c1nccn1CCc1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole?
The InChIKey is MBFLOEUULFNNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10-5-9-20-14(10)15-16-6-8-19(15)7-4-13-11(2)17-18-12(13)3/h5-6,8-9H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole?
3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole has a molecular weight of 286.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1H-pyrazole is sourced from PubChem (CID 56863066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).