5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide

C11H12N4OS — CID 29049788

IUPAC5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C11H12N4OS/c1-6-5-17-11(12-6)13-10(16)9-4-8(14-15-9)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyVKYRHOBFVSUHTP-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.30
Rot. Bonds3

About 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 29049788) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID29049788
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C11H12N4OS/c1-6-5-17-11(12-6)13-10(16)9-4-8(14-15-9)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyVKYRHOBFVSUHTP-UHFFFAOYSA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37844541
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 45809031
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 48428117
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
N-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 71926749
5-cyclopropyl-N-(4,5-dimethylthiazol-2-yl)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamide
CID 16849791
5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 47290731
N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71852587
N-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
CID 131910961
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508339
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514673
5-(4-fluorophenyl)-N-(4-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 36097563

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide (CID 29049788) is 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide is Cc1csc(NC(=O)c2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is VKYRHOBFVSUHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-5-17-11(12-6)13-10(16)9-4-8(14-15-9)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 29049788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).