5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide

C15H20N4OS — CID 164633450

IUPAC5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide
SMILESCC[C@](C)(NC(=O)c1cc(C2CC2)n(C)n1)c1nccs1
InChIInChI=1S/C15H20N4OS/c1-4-15(2,14-16-7-8-21-14)17-13(20)11-9-12(10-5-6-10)19(3)18-11/h7-10H,4-6H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyAUJIQXQQHXMUMY-HNNXBMFYSA-N
MW304.42 g/mol
LogP2.81
Rot. Bonds5

About 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide

5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide (PubChem CID 164633450) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide
PubChem CID164633450
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide
SMILESCC[C@](C)(NC(=O)c1cc(C2CC2)n(C)n1)c1nccs1
InChIInChI=1S/C15H20N4OS/c1-4-15(2,14-16-7-8-21-14)17-13(20)11-9-12(10-5-6-10)19(3)18-11/h7-10H,4-6H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyAUJIQXQQHXMUMY-HNNXBMFYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71875704
4-chloro-5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71921524
5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373898
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 178296726
N-[2-(2-{1-[(1-Ethyl-1H-pyrazol-3-YL)carbonyl]-3-piperidyl}-1,3-thiazol-4-YL)ethyl]-1-cyclopropanecarboxamide
CID 71841696
5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 47290731
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
5-cyclopropyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 137997215
N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 164637842
N-[1-(2-bromo-1,3-thiazol-5-yl)ethyl]-3-[(4E)-3-fluoro-2-methylhexa-1,4-dien-3-yl]-1-methylpyrazole-5-carboxamide
CID 169262933
N-[1-(2-bromo-1,3-thiazol-5-yl)ethyl]-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide
CID 169262965

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide (CID 164633450) is 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide is CC[C@](C)(NC(=O)c1cc(C2CC2)n(C)n1)c1nccs1.
What is the InChIKey of 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide?
The InChIKey is AUJIQXQQHXMUMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-15(2,14-16-7-8-21-14)17-13(20)11-9-12(10-5-6-10)19(3)18-11/h7-10H,4-6H2,1-3H3,(H,17,20)/t15-/m0/s1.
What are the key properties of 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide?
5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 164633450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).