4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide

C15H17ClN4OS — CID 71921524

IUPAC4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1(c2nccs2)CCCC1)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C15H17ClN4OS/c16-10-11(9-3-4-9)19-20-12(10)13(21)18-15(5-1-2-6-15)14-17-7-8-22-14/h7-9H,1-6H2,(H,18,21)(H,19,20)
InChIKeyRQYLPQPCGZPVHV-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.60
Rot. Bonds4

About 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide

4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide (PubChem CID 71921524) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
PubChem CID71921524
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1(c2nccs2)CCCC1)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C15H17ClN4OS/c16-10-11(9-3-4-9)19-20-12(10)13(21)18-15(5-1-2-6-15)14-17-7-8-22-14/h7-9H,1-6H2,(H,18,21)(H,19,20)
InChIKeyRQYLPQPCGZPVHV-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(thiazol-2-yl)ethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 71705685
5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71875704
4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 125440064
4-bromo-5-ethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 136538080
5-cyclopropyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 137997215
5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide
CID 164633450
[1-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 16670479
2-{1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]pyrrolidin-2-yl}-1,3-thiazole
CID 50976368
5-cyclopropyl-1-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]-1H-pyrazole-3-carboxamide
CID 132379940
3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 49411413
4-amino-5-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 55175603
4-amino-5-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62076401

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide (CID 71921524) is 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide is O=C(NC1(c2nccs2)CCCC1)c1n[nH]c(C2CC2)c1Cl.
What is the InChIKey of 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RQYLPQPCGZPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c16-10-11(9-3-4-9)19-20-12(10)13(21)18-15(5-1-2-6-15)14-17-7-8-22-14/h7-9H,1-6H2,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide?
4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide has a molecular weight of 336.85 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71921524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).