4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide

C11H13ClN4OS — CID 125440064

IUPAC4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1n[nH]c(C)c1Cl)c1nccs1
InChIInChI=1S/C11H13ClN4OS/c1-3-7(11-13-4-5-18-11)14-10(17)9-8(12)6(2)15-16-9/h4-5,7H,3H2,1-2H3,(H,14,17)(H,15,16)/t7-/m0/s1
InChIKeyZCMFMZKIYXINPF-ZETCQYMHSA-N
MW284.77 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide

4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide (PubChem CID 125440064) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
PubChem CID125440064
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1n[nH]c(C)c1Cl)c1nccs1
InChIInChI=1S/C11H13ClN4OS/c1-3-7(11-13-4-5-18-11)14-10(17)9-8(12)6(2)15-16-9/h4-5,7H,3H2,1-2H3,(H,14,17)(H,15,16)/t7-/m0/s1
InChIKeyZCMFMZKIYXINPF-ZETCQYMHSA-N
XLogP2.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide (CID 125440064) is 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide is CC[C@H](NC(=O)c1n[nH]c(C)c1Cl)c1nccs1.
What is the InChIKey of 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZCMFMZKIYXINPF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c1-3-7(11-13-4-5-18-11)14-10(17)9-8(12)6(2)15-16-9/h4-5,7H,3H2,1-2H3,(H,14,17)(H,15,16)/t7-/m0/s1.
What are the key properties of 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide?
4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 284.77 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125440064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).