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

C15H13N5O — CID 170044348

IUPAC5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde
SMILESNc1ccc(-c2[nH]nc(Nc3ccccn3)c2C=O)cc1
InChIInChI=1S/C15H13N5O/c16-11-6-4-10(5-7-11)14-12(9-21)15(20-19-14)18-13-3-1-2-8-17-13/h1-9H,16H2,(H2,17,18,19,20)
InChIKeyFUXXBDYOLMDSPE-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.61
Rot. Bonds4

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

5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde (PubChem CID 170044348) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde
PubChem CID170044348
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde
SMILESNc1ccc(-c2[nH]nc(Nc3ccccn3)c2C=O)cc1
InChIInChI=1S/C15H13N5O/c16-11-6-4-10(5-7-11)14-12(9-21)15(20-19-14)18-13-3-1-2-8-17-13/h1-9H,16H2,(H2,17,18,19,20)
InChIKeyFUXXBDYOLMDSPE-UHFFFAOYSA-N
XLogP2.61
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 170044357
N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 75511476
3-amino-5-phenyl-1H-pyrazole-4-carbaldehyde
CID 15687152
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
3-(pyridin-2-ylamino)-5-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849961
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146951
2-N-pyridin-2-ylpyridine-2,3,5-triamine
CID 21436318
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
silver;tetrakis(N-pyridin-2-ylpyridin-2-amine);nitrate
CID 139086290
6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine
CID 53486868

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde (CID 170044348) is 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde is Nc1ccc(-c2[nH]nc(Nc3ccccn3)c2C=O)cc1.
What is the InChIKey of 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde?
The InChIKey is FUXXBDYOLMDSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-11-6-4-10(5-7-11)14-12(9-21)15(20-19-14)18-13-3-1-2-8-17-13/h1-9H,16H2,(H2,17,18,19,20).
What are the key properties of 5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde?
5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carbaldehyde has a molecular weight of 279.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 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-carbaldehyde is sourced from PubChem (CID 170044348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).