1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide

C13H12N6O — CID 61393305

IUPAC1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
SMILESNc1cccc(-n2ccc(C(=O)Nc3ccn[nH]3)n2)c1
InChIInChI=1S/C13H12N6O/c14-9-2-1-3-10(8-9)19-7-5-11(18-19)13(20)16-12-4-6-15-17-12/h1-8H,14H2,(H2,15,16,17,20)
InChIKeySSSJQYHMJWULBV-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.43
Rot. Bonds3

About 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide

1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide (PubChem CID 61393305) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
PubChem CID61393305
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
SMILESNc1cccc(-n2ccc(C(=O)Nc3ccn[nH]3)n2)c1
InChIInChI=1S/C13H12N6O/c14-9-2-1-3-10(8-9)19-7-5-11(18-19)13(20)16-12-4-6-15-17-12/h1-8H,14H2,(H2,15,16,17,20)
InChIKeySSSJQYHMJWULBV-UHFFFAOYSA-N
XLogP1.43
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.43
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

1-phenyl-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 60579971
N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 56793948
1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43475407
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
CID 114911543
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
CID 65310413
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072
methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 65365024
[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107209960
cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 62383833
[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475408

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide (CID 61393305) is 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide is Nc1cccc(-n2ccc(C(=O)Nc3ccn[nH]3)n2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is SSSJQYHMJWULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-9-2-1-3-10(8-9)19-7-5-11(18-19)13(20)16-12-4-6-15-17-12/h1-8H,14H2,(H2,15,16,17,20).
What are the key properties of 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide?
1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 61393305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).