2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde

C15H15N5O — CID 174582808

IUPAC2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde
SMILESNCc1ccc(N2NC=C(c3cccnc3)C2C=O)nc1
InChIInChI=1S/C15H15N5O/c16-6-11-3-4-15(18-7-11)20-14(10-21)13(9-19-20)12-2-1-5-17-8-12/h1-5,7-10,14,19H,6,16H2
InChIKeyVHOPATIOIRNQGM-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.87
Rot. Bonds4

About 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde

2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde (PubChem CID 174582808) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde
PubChem CID174582808
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde
SMILESNCc1ccc(N2NC=C(c3cccnc3)C2C=O)nc1
InChIInChI=1S/C15H15N5O/c16-6-11-3-4-15(18-7-11)20-14(10-21)13(9-19-20)12-2-1-5-17-8-12/h1-5,7-10,14,19H,6,16H2
InChIKeyVHOPATIOIRNQGM-UHFFFAOYSA-N
XLogP0.87
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde
CID 174582809
2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride
CID 174582857
N-methyl-1-[6-(4-pyridin-3-yl-1,3-dihydropyrazol-2-yl)-3-pyridinyl]methanamine
CID 141210003
1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione
CID 62354535
5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 67608405
4-pyridin-3-yl-2-[5-(pyrrol-1-ylmethyl)-2-pyridinyl]-1H-pyrazol-3-one;hydrochloride
CID 68716849
N-[5-(aminomethyl)-2-pyridinyl]pyridine-3-sulfonamide
CID 62353333
(2-pyridin-3-yl-3-pyridinyl)methanamine
CID 19005903
(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride
CID 70195308
[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine
CID 62354134
7-chloro-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174526541
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde?
The IUPAC name of 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde (CID 174582808) is 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde.
What is the SMILES notation for 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde?
The canonical SMILES for 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde is NCc1ccc(N2NC=C(c3cccnc3)C2C=O)nc1.
What is the InChIKey of 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde?
The InChIKey is VHOPATIOIRNQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-6-11-3-4-15(18-7-11)20-14(10-21)13(9-19-20)12-2-1-5-17-8-12/h1-5,7-10,14,19H,6,16H2.
What are the key properties of 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde?
2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde has a molecular weight of 281.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde is sourced from PubChem (CID 174582808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).