N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

C18H18N4OS — CID 47074872

IUPACN-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2cccs2)C2CC2)c(-c2ccncc2)n1
InChIInChI=1S/C18H18N4OS/c1-21-12-16(17(20-21)13-6-8-19-9-7-13)18(23)22(14-4-5-14)11-15-3-2-10-24-15/h2-3,6-10,12,14H,4-5,11H2,1H3
InChIKeyWCIRFTGNOIANOR-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.35
Rot. Bonds5

About N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 47074872) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID47074872
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2cccs2)C2CC2)c(-c2ccncc2)n1
InChIInChI=1S/C18H18N4OS/c1-21-12-16(17(20-21)13-6-8-19-9-7-13)18(23)22(14-4-5-14)11-15-3-2-10-24-15/h2-3,6-10,12,14H,4-5,11H2,1H3
InChIKeyWCIRFTGNOIANOR-UHFFFAOYSA-N
XLogP3.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
N-cyclopropyl-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461213
5-chloro-N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzamide
CID 62242599
5-amino-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61107609
N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134004606
1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 90610643
N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 72717917
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
(3R,4S)-N-cyclopropyl-4-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120923060

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (CID 47074872) is N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)N(Cc2cccs2)C2CC2)c(-c2ccncc2)n1.
What is the InChIKey of N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is WCIRFTGNOIANOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-21-12-16(17(20-21)13-6-8-19-9-7-13)18(23)22(14-4-5-14)11-15-3-2-10-24-15/h2-3,6-10,12,14H,4-5,11H2,1H3.
What are the key properties of N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47074872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).