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

C10H11N5O — CID 58110948

IUPAC5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cccc(N)c2)c1N
InChIInChI=1S/C10H11N5O/c11-6-2-1-3-7(4-6)15-9(12)8(5-14-15)10(13)16/h1-5H,11-12H2,(H2,13,16)
InChIKeyNPXSQUYHTSYACJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.14
Rot. Bonds2

About 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide

5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide (PubChem CID 58110948) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide
PubChem CID58110948
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cccc(N)c2)c1N
InChIInChI=1S/C10H11N5O/c11-6-2-1-3-7(4-6)15-9(12)8(5-14-15)10(13)16/h1-5H,11-12H2,(H2,13,16)
InChIKeyNPXSQUYHTSYACJ-UHFFFAOYSA-N
XLogP0.14
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide
CID 97036087
5-(5-amino-4-carbamoylpyrazol-1-yl)-2-chlorobenzoate
CID 2414021
5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide
CID 83241101
5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 97036083
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-aminophenyl)methanone
CID 22262810
1-(3-acetylphenyl)-5-aminopyrazole-4-carboxylic acid
CID 82365360
5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide
CID 58110912
5-amino-1-(3-methylsulfanylphenyl)pyrazole-4-carboxylic acid
CID 82365387
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 83241649
1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
CID 15112560
5-amino-1-(3-carboxy-4-hydroxyphenyl)pyrazole-4-carboxylic acid
CID 82365367

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide (CID 58110948) is 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2cccc(N)c2)c1N.
What is the InChIKey of 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide?
The InChIKey is NPXSQUYHTSYACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-6-2-1-3-7(4-6)15-9(12)8(5-14-15)10(13)16/h1-5H,11-12H2,(H2,13,16).
What are the key properties of 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide?
5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58110948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).