N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide

C14H19N3OS — CID 112689244

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2n[nH]c(C)c2C)sc1C
InChIInChI=1S/C14H19N3OS/c1-5-6-11-7-12(19-10(11)4)14(18)15-13-8(2)9(3)16-17-13/h7H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyCQPUEFFYAQQMAK-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.60
Rot. Bonds4

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 112689244) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID112689244
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2n[nH]c(C)c2C)sc1C
InChIInChI=1S/C14H19N3OS/c1-5-6-11-7-12(19-10(11)4)14(18)15-13-8(2)9(3)16-17-13/h7H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyCQPUEFFYAQQMAK-UHFFFAOYSA-N
XLogP3.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 115594741
3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43356574
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9370107
N-(2,4-difluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9209398
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61320020
5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide
CID 27991579
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide (CID 112689244) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2n[nH]c(C)c2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is CQPUEFFYAQQMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-5-6-11-7-12(19-10(11)4)14(18)15-13-8(2)9(3)16-17-13/h7H,5-6H2,1-4H3,(H2,15,16,17,18).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 112689244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).