N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide

C16H18N4OS — CID 139821332

IUPACN-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C#N)c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C16H18N4OS/c1-11-9-14(20(19-11)12-5-2-3-6-12)16(21)18-13(10-17)15-7-4-8-22-15/h4,7-9,12-13H,2-3,5-6H2,1H3,(H,18,21)
InChIKeyASVOQPUKLBNEAB-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.36
Rot. Bonds4

About N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide

N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide (PubChem CID 139821332) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide
PubChem CID139821332
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C#N)c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C16H18N4OS/c1-11-9-14(20(19-11)12-5-2-3-6-12)16(21)18-13(10-17)15-7-4-8-22-15/h4,7-9,12-13H,2-3,5-6H2,1H3,(H,18,21)
InChIKeyASVOQPUKLBNEAB-UHFFFAOYSA-N
XLogP3.36
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
N-[cyano(thiophen-2-yl)methyl]furan-2-carboxamide
CID 13075816
N-[cyano(thiophen-2-yl)methyl]-4-methyl-2-methylsulfonyl-1,3-thiazole-5-carboxamide
CID 142633567
2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 18983865
1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82302693
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoylamino]-N-methyl-2-phenylacetamide
CID 72880120
2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide
CID 60619872
N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide
CID 18983827
3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide
CID 51498459
N'-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 122264910
1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole
CID 170214162
2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167793055

Frequently Asked Questions

What is the IUPAC name of N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide (CID 139821332) is N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(C#N)c2cccs2)n(C2CCCC2)n1.
What is the InChIKey of N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide?
The InChIKey is ASVOQPUKLBNEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-9-14(20(19-11)12-5-2-3-6-12)16(21)18-13(10-17)15-7-4-8-22-15/h4,7-9,12-13H,2-3,5-6H2,1H3,(H,18,21).
What are the key properties of N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide?
N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 139821332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).