4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide

C11H12N4OS — CID 63106114

IUPAC4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2[nH]ncc2N)cc1
InChIInChI=1S/C11H12N4OS/c1-17-8-4-2-7(3-5-8)14-11(16)10-9(12)6-13-15-10/h2-6H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyBJMDEMFXHKITMH-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.97
Rot. Bonds3

About 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63106114) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID63106114
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2[nH]ncc2N)cc1
InChIInChI=1S/C11H12N4OS/c1-17-8-4-2-7(3-5-8)14-11(16)10-9(12)6-13-15-10/h2-6H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyBJMDEMFXHKITMH-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

4-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63105759
4-amino-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63104822
4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 63103393
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 106909746
4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 63107429
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 63101769
4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075447
4-amino-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 63107053
N-(5-acetamido-2-methoxyphenyl)-4-amino-1H-pyrazole-5-carboxamide
CID 63101953
4-amino-N-(2-methylpyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 63102341
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
CID 63102295

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide (CID 63106114) is 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide is CSc1ccc(NC(=O)c2[nH]ncc2N)cc1.
What is the InChIKey of 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BJMDEMFXHKITMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-17-8-4-2-7(3-5-8)14-11(16)10-9(12)6-13-15-10/h2-6H,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(4-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 4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63106114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).