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

C10H12N4OS — CID 22170640

IUPACN-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESCC(C)c1cnc(NC(=O)c2cn[nH]c2)s1
InChIInChI=1S/C10H12N4OS/c1-6(2)8-5-11-10(16-8)14-9(15)7-3-12-13-4-7/h3-6H,1-2H3,(H,12,13)(H,11,14,15)
InChIKeyPRAZYRHQZVEFSW-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.24
Rot. Bonds3

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

N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 22170640) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID22170640
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESCC(C)c1cnc(NC(=O)c2cn[nH]c2)s1
InChIInChI=1S/C10H12N4OS/c1-6(2)8-5-11-10(16-8)14-9(15)7-3-12-13-4-7/h3-6H,1-2H3,(H,12,13)(H,11,14,15)
InChIKeyPRAZYRHQZVEFSW-UHFFFAOYSA-N
XLogP2.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide (CID 22170640) is N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide is CC(C)c1cnc(NC(=O)c2cn[nH]c2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is PRAZYRHQZVEFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6(2)8-5-11-10(16-8)14-9(15)7-3-12-13-4-7/h3-6H,1-2H3,(H,12,13)(H,11,14,15).
What are the key properties of N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 22170640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).