3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide

C11H12N4OS — CID 64525790

IUPAC3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H12N4OS/c1-17-8-4-2-3-7(5-8)13-11(16)9-6-10(12)15-14-9/h2-6H,1H3,(H,13,16)(H3,12,14,15)
InChIKeyZXRQCXVGWATFAM-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide

3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64525790) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID64525790
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H12N4OS/c1-17-8-4-2-3-7(5-8)13-11(16)9-6-10(12)15-14-9/h2-6H,1H3,(H,13,16)(H3,12,14,15)
InChIKeyZXRQCXVGWATFAM-UHFFFAOYSA-N
XLogP1.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576795
4-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63105759
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 64524809

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide (CID 64525790) is 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide is CSc1cccc(NC(=O)c2cc(N)n[nH]2)c1.
What is the InChIKey of 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZXRQCXVGWATFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-17-8-4-2-3-7(5-8)13-11(16)9-6-10(12)15-14-9/h2-6H,1H3,(H,13,16)(H3,12,14,15).
What are the key properties of 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).