5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide

C17H14N6O2S — CID 51124005

IUPAC5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide
SMILESCn1cnnc1Sc1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C17H14N6O2S/c1-23-10-18-22-17(23)26-12-6-4-11(5-7-12)19-16(24)14-9-13(20-21-14)15-3-2-8-25-15/h2-10H,1H3,(H,19,24)(H,20,21)
InChIKeyOKOMCHNXOBTAEY-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.20
Rot. Bonds5

About 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 51124005) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide
PubChem CID51124005
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide
SMILESCn1cnnc1Sc1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C17H14N6O2S/c1-23-10-18-22-17(23)26-12-6-4-11(5-7-12)19-16(24)14-9-13(20-21-14)15-3-2-8-25-15/h2-10H,1H3,(H,19,24)(H,20,21)
InChIKeyOKOMCHNXOBTAEY-UHFFFAOYSA-N
XLogP3.20
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-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

Related Compounds

5-(furan-2-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 146153638
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
5-(furan-2-yl)-N-(2-propan-2-ylindazol-6-yl)-1H-pyrazole-3-carboxamide
CID 146128437
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146122551
3-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1-benzothiophene-2-carboxamide
CID 55493699
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55501140
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
5-(furan-2-yl)-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-3-carboxamide
CID 166205666
5-(furan-2-yl)-N-(1-methylindol-4-yl)-1H-pyrazole-3-carboxamide
CID 71704027
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119698810
N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 86868766

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide (CID 51124005) is 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide is Cn1cnnc1Sc1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is OKOMCHNXOBTAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-23-10-18-22-17(23)26-12-6-4-11(5-7-12)19-16(24)14-9-13(20-21-14)15-3-2-8-25-15/h2-10H,1H3,(H,19,24)(H,20,21).
What are the key properties of 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51124005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).