1-(4-aminophenyl)pyrazole-3-carboxamide

C10H10N4O — CID 25247604

IUPAC1-(4-aminophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C10H10N4O/c11-7-1-3-8(4-2-7)14-6-5-9(13-14)10(12)15/h1-6H,11H2,(H2,12,15)
InChIKeyHUVPQDVSCAXAFC-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.55
Rot. Bonds2

About 1-(4-aminophenyl)pyrazole-3-carboxamide

1-(4-aminophenyl)pyrazole-3-carboxamide (PubChem CID 25247604) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-(4-aminophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)pyrazole-3-carboxamide
PubChem CID25247604
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-(4-aminophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C10H10N4O/c11-7-1-3-8(4-2-7)14-6-5-9(13-14)10(12)15/h1-6H,11H2,(H2,12,15)
InChIKeyHUVPQDVSCAXAFC-UHFFFAOYSA-N
XLogP0.55
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
CID 64782843
methoxymethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 65365026
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide
CID 103100909
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
CID 61115162
(1-amino-1-oxobutan-2-yl) 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 62899699
(3-amino-2-methyl-3-oxopropyl) 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61315652
[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475319
1-(4-aminophenyl)-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide
CID 114386719
1-(3-amino-5-nitrophenyl)pyrazole-3-carboxamide
CID 80867849
1-(4-aminophenyl)-N-pyrimidin-5-ylpyrazole-3-carboxamide
CID 107587342
1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide
CID 141144470

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-aminophenyl)pyrazole-3-carboxamide (CID 25247604) is 1-(4-aminophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccc(N)cc2)n1.
What is the InChIKey of 1-(4-aminophenyl)pyrazole-3-carboxamide?
The InChIKey is HUVPQDVSCAXAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-7-1-3-8(4-2-7)14-6-5-9(13-14)10(12)15/h1-6H,11H2,(H2,12,15).
What are the key properties of 1-(4-aminophenyl)pyrazole-3-carboxamide?
1-(4-aminophenyl)pyrazole-3-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 25247604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).