5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide

C15H14N6O — CID 170044357

IUPAC5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccccn2)n[nH]c1-c1ccc(N)cc1
InChIInChI=1S/C15H14N6O/c16-10-6-4-9(5-7-10)13-12(14(17)22)15(21-20-13)19-11-3-1-2-8-18-11/h1-8H,16H2,(H2,17,22)(H2,18,19,20,21)
InChIKeyHOUHZDKZOJELFT-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.90
Rot. Bonds4

About 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide

5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide (PubChem CID 170044357) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide
PubChem CID170044357
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccccn2)n[nH]c1-c1ccc(N)cc1
InChIInChI=1S/C15H14N6O/c16-10-6-4-9(5-7-10)13-12(14(17)22)15(21-20-13)19-11-3-1-2-8-18-11/h1-8H,16H2,(H2,17,22)(H2,18,19,20,21)
InChIKeyHOUHZDKZOJELFT-UHFFFAOYSA-N
XLogP1.90
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde
CID 170044348
3-(pyridin-2-ylamino)-5-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849961
5-amino-3-(4-pyridin-2-ylanilino)-1H-pyrazole-4-carboxamide
CID 121410173
N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 75511476
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
5-amino-3-anilino-1H-pyrazole-4-carboxamide
CID 2357212
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 168850020
5-[4-[[benzyl(methyl)carbamoyl]amino]phenyl]-3-[(2-methoxy-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 168849969
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide
CID 170045361
3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide
CID 71031561
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146951

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide (CID 170044357) is 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2ccccn2)n[nH]c1-c1ccc(N)cc1.
What is the InChIKey of 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is HOUHZDKZOJELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c16-10-6-4-9(5-7-10)13-12(14(17)22)15(21-20-13)19-11-3-1-2-8-18-11/h1-8H,16H2,(H2,17,22)(H2,18,19,20,21).
What are the key properties of 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide?
5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 170044357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).