N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C16H14N4OS — CID 22576795

IUPACN-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2cc(-c3ccccn3)n[nH]2)c1
InChIInChI=1S/C16H14N4OS/c1-22-12-6-4-5-11(9-12)18-16(21)15-10-14(19-20-15)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyFXNPBMOPXLUYEU-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.45
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 22576795) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID22576795
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2cc(-c3ccccn3)n[nH]2)c1
InChIInChI=1S/C16H14N4OS/c1-22-12-6-4-5-11(9-12)18-16(21)15-10-14(19-20-15)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyFXNPBMOPXLUYEU-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 64525790
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576776
N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46964446
1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea
CID 46891619
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 146153635
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
N-(3-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136655098
N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91821160
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 131900789

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 22576795) is N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is CSc1cccc(NC(=O)c2cc(-c3ccccn3)n[nH]2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is FXNPBMOPXLUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-22-12-6-4-5-11(9-12)18-16(21)15-10-14(19-20-15)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 22576795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).