1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide

C17H19N5OS — CID 75371670

IUPAC1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Sc3nccn3C)cc2C)cn1
InChIInChI=1S/C17H19N5OS/c1-4-22-11-13(10-19-22)16(23)20-15-6-5-14(9-12(15)2)24-17-18-7-8-21(17)3/h5-11H,4H2,1-3H3,(H,20,23)
InChIKeyXUYHGQDYZHHUNW-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.35
Rot. Bonds5

About 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide

1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide (PubChem CID 75371670) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide
PubChem CID75371670
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Sc3nccn3C)cc2C)cn1
InChIInChI=1S/C17H19N5OS/c1-4-22-11-13(10-19-22)16(23)20-15-6-5-14(9-12(15)2)24-17-18-7-8-21(17)3/h5-11H,4H2,1-3H3,(H,20,23)
InChIKeyXUYHGQDYZHHUNW-UHFFFAOYSA-N
XLogP3.35
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-(1-methylimidazol-2-yl)sulfanylaniline
CID 43436429
1-ethyl-N-(4-methoxy-2-pyridinyl)pyrazole-4-carboxamide
CID 75392803
2-(aminomethyl)-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166291547
N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
CID 19280962
5-ethyl-4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]thiophene-2-carboxamide
CID 55491048
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
2-methyl-4-(1-methylimidazol-2-yl)sulfanylbenzonitrile
CID 81281637
N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 71979949
N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide
CID 71919554
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide (CID 75371670) is 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(Sc3nccn3C)cc2C)cn1.
What is the InChIKey of 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide?
The InChIKey is XUYHGQDYZHHUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-4-22-11-13(10-19-22)16(23)20-15-6-5-14(9-12(15)2)24-17-18-7-8-21(17)3/h5-11H,4H2,1-3H3,(H,20,23).
What are the key properties of 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide?
1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 75371670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).