N-(3-phenylpropyl)pyrazole-1-carboxamide

C13H15N3O — CID 118526757

IUPACN-(3-phenylpropyl)pyrazole-1-carboxamide
SMILESO=C(NCCCc1ccccc1)n1cccn1
InChIInChI=1S/C13H15N3O/c17-13(16-11-5-10-15-16)14-9-4-8-12-6-2-1-3-7-12/h1-3,5-7,10-11H,4,8-9H2,(H,14,17)
InChIKeyJXKJGTZJXLBVCZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.07
Rot. Bonds4

About N-(3-phenylpropyl)pyrazole-1-carboxamide

N-(3-phenylpropyl)pyrazole-1-carboxamide (PubChem CID 118526757) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3-phenylpropyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)pyrazole-1-carboxamide
PubChem CID118526757
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(3-phenylpropyl)pyrazole-1-carboxamide
SMILESO=C(NCCCc1ccccc1)n1cccn1
InChIInChI=1S/C13H15N3O/c17-13(16-11-5-10-15-16)14-9-4-8-12-6-2-1-3-7-12/h1-3,5-7,10-11H,4,8-9H2,(H,14,17)
InChIKeyJXKJGTZJXLBVCZ-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentylpyrazole-1-carboxamide
CID 134846837
N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 134161266
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
3-phenylpropylurea;hydrochloride
CID 174579396
N-[2-(dimethylamino)ethyl]pyrazole-1-carboxamide
CID 141081181
N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide
CID 141081208
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
8-phenyloctylcarbamic acid
CID 90271205

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)pyrazole-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)pyrazole-1-carboxamide (CID 118526757) is N-(3-phenylpropyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)pyrazole-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)pyrazole-1-carboxamide is O=C(NCCCc1ccccc1)n1cccn1.
What is the InChIKey of N-(3-phenylpropyl)pyrazole-1-carboxamide?
The InChIKey is JXKJGTZJXLBVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(16-11-5-10-15-16)14-9-4-8-12-6-2-1-3-7-12/h1-3,5-7,10-11H,4,8-9H2,(H,14,17).
What are the key properties of N-(3-phenylpropyl)pyrazole-1-carboxamide?
N-(3-phenylpropyl)pyrazole-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).