N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide

C14H14N6O — CID 62881880

IUPACN-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccnn2-c2ccc(N)cc2)cn1
InChIInChI=1S/C14H14N6O/c1-19-9-10(8-17-19)14(21)18-13-6-7-16-20(13)12-4-2-11(15)3-5-12/h2-9H,15H2,1H3,(H,18,21)
InChIKeyHFPVINSDYKMHPY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.44
Rot. Bonds3

About N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide

N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 62881880) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID62881880
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccnn2-c2ccc(N)cc2)cn1
InChIInChI=1S/C14H14N6O/c1-19-9-10(8-17-19)14(21)18-13-6-7-16-20(13)12-4-2-11(15)3-5-12/h2-9H,15H2,1H3,(H,18,21)
InChIKeyHFPVINSDYKMHPY-UHFFFAOYSA-N
XLogP1.44
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide
CID 62881877
N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide
CID 62881561
N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide
CID 62880357
N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 62881555
N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 28742335
N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide
CID 62881715
1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 75433893
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303
N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide
CID 63012340
N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 28742337
2-amino-N-(2-phenylpyrazol-3-yl)benzamide
CID 14638390
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (CID 62881880) is N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccnn2-c2ccc(N)cc2)cn1.
What is the InChIKey of N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is HFPVINSDYKMHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-19-9-10(8-17-19)14(21)18-13-6-7-16-20(13)12-4-2-11(15)3-5-12/h2-9H,15H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 62881880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).