N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide

C12H14N4O — CID 35285072

IUPACN-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccncc1
InChIInChI=1S/C12H14N4O/c17-12(11-3-7-13-8-4-11)14-5-1-9-16-10-2-6-15-16/h2-4,6-8,10H,1,5,9H2,(H,14,17)
InChIKeyOKWKZMBXFKUMRY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.10
Rot. Bonds5

About N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide

N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 35285072) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
PubChem CID35285072
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccncc1
InChIInChI=1S/C12H14N4O/c17-12(11-3-7-13-8-4-11)14-5-1-9-16-10-2-6-15-16/h2-4,6-8,10H,1,5,9H2,(H,14,17)
InChIKeyOKWKZMBXFKUMRY-UHFFFAOYSA-N
XLogP1.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
CID 37394498
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111904534
2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 87011058
N-butylpyridine-4-carboxamide
CID 5030535
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332359
4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393942
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
N-pentylpyridine-4-carboxamide
CID 2307296

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide (CID 35285072) is N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide is O=C(NCCCn1cccn1)c1ccncc1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is OKWKZMBXFKUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(11-3-7-13-8-4-11)14-5-1-9-16-10-2-6-15-16/h2-4,6-8,10H,1,5,9H2,(H,14,17).
What are the key properties of N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide?
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 35285072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).