N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide

C12H15N3OS — CID 87021283

IUPACN,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2cccs2)n[nH]1
InChIInChI=1S/C12H15N3OS/c1-8-7-10(14-13-8)12(16)15(3)9(2)11-5-4-6-17-11/h4-7,9H,1-3H3,(H,13,14)
InChIKeyWUBODEUYOXEZOV-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.61
Rot. Bonds3

About N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide

N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 87021283) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID87021283
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2cccs2)n[nH]1
InChIInChI=1S/C12H15N3OS/c1-8-7-10(14-13-8)12(16)15(3)9(2)11-5-4-6-17-11/h4-7,9H,1-3H3,(H,13,14)
InChIKeyWUBODEUYOXEZOV-UHFFFAOYSA-N
XLogP2.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55052175
N-methyl-N-[(1S)-1-thiophen-2-ylethyl]-2H-benzotriazole-5-carboxamide
CID 31620123
N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 78861160
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 109388243
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid
CID 110835292
2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388715

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide (CID 87021283) is N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C(C)c2cccs2)n[nH]1.
What is the InChIKey of N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WUBODEUYOXEZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-7-10(14-13-8)12(16)15(3)9(2)11-5-4-6-17-11/h4-7,9H,1-3H3,(H,13,14).
What are the key properties of N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide?
N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 87021283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).