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

C11H14N4OS — CID 22170878

IUPAC5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(C(C)C)s2)n[nH]1
InChIInChI=1S/C11H14N4OS/c1-6(2)9-5-12-11(17-9)13-10(16)8-4-7(3)14-15-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyQOPDVHOIJUBFCV-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.55
Rot. Bonds3

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

5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 22170878) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID22170878
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(C(C)C)s2)n[nH]1
InChIInChI=1S/C11H14N4OS/c1-6(2)9-5-12-11(17-9)13-10(16)8-4-7(3)14-15-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyQOPDVHOIJUBFCV-UHFFFAOYSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide (CID 22170878) is 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ncc(C(C)C)s2)n[nH]1.
What is the InChIKey of 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is QOPDVHOIJUBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-6(2)9-5-12-11(17-9)13-10(16)8-4-7(3)14-15-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 22170878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).