N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

C14H19ClN4OS — CID 119474401

IUPACN-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C14H18N4OS.ClH/c15-9-3-5-10(6-4-9)16-14(19)12-8-11(17-18-12)13-2-1-7-20-13;/h1-2,7-10H,3-6,15H2,(H,16,19)(H,17,18);1H
InChIKeyUPHKAQAZPMSVCX-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.56
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119474401) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119474401
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC NameN-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C14H18N4OS.ClH/c15-9-3-5-10(6-4-9)16-14(19)12-8-11(17-18-12)13-2-1-7-20-13;/h1-2,7-10H,3-6,15H2,(H,16,19)(H,17,18);1H
InChIKeyUPHKAQAZPMSVCX-UHFFFAOYSA-N
XLogP2.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90597429
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55949675
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 51896563
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 125431006
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 111429721
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120817636
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335992
N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119605510

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119474401) is N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is UPHKAQAZPMSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.ClH/c15-9-3-5-10(6-4-9)16-14(19)12-8-11(17-18-12)13-2-1-7-20-13;/h1-2,7-10H,3-6,15H2,(H,16,19)(H,17,18);1H.
What are the key properties of N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119474401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).