N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide

C12H15N5O — CID 119405198

IUPACN-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESNCCCNC(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C12H15N5O/c13-4-1-5-15-12(18)11-9-10(3-7-14-11)17-8-2-6-16-17/h2-3,6-9H,1,4-5,13H2,(H,15,18)
InChIKeyBCGOPYKURUOBIB-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.35
Rot. Bonds5

About N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide

N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 119405198) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID119405198
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESNCCCNC(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C12H15N5O/c13-4-1-5-15-12(18)11-9-10(3-7-14-11)17-8-2-6-16-17/h2-3,6-9H,1,4-5,13H2,(H,15,18)
InChIKeyBCGOPYKURUOBIB-UHFFFAOYSA-N
XLogP0.35
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-pyrazol-1-yl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 71801475
N-(2-amino-2-methylpropyl)-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119626185
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 120827316
N-(4-aminocyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119474816
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 120947554
N-(4-hydroxycyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 111433062
N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119609496
N-(1-aminopropan-2-yl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119581651
tert-butyl N-[(4S)-4-phenyl-4-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]butyl]carbamate
CID 124886818
4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120810575
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119652843

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide (CID 119405198) is N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide is NCCCNC(=O)c1cc(-n2cccn2)ccn1.
What is the InChIKey of N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is BCGOPYKURUOBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-4-1-5-15-12(18)11-9-10(3-7-14-11)17-8-2-6-16-17/h2-3,6-9H,1,4-5,13H2,(H,15,18).
What are the key properties of N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide?
N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 119405198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).