N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide

C15H20N4O — CID 115737771

IUPACN-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
SMILESCCCC(N)CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-2-6-13(16)10-17-15(20)12-9-18-19(11-12)14-7-4-3-5-8-14/h3-5,7-9,11,13H,2,6,10,16H2,1H3,(H,17,20)
InChIKeyAVJAWJRZNVUQCP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.73
Rot. Bonds6

About N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide

N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 115737771) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
PubChem CID115737771
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
SMILESCCCC(N)CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-2-6-13(16)10-17-15(20)12-9-18-19(11-12)14-7-4-3-5-8-14/h3-5,7-9,11,13H,2,6,10,16H2,1H3,(H,17,20)
InChIKeyAVJAWJRZNVUQCP-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide
CID 111662226
2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219117
N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
CID 64541460
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
N-(1-chlorobutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 114294313
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
N-(2-aminopentyl)pyridine-4-carboxamide
CID 115737712
diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 9074333
N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119498873
N-(3-amino-3-hydroxyiminopropyl)-1-phenylpyrazole-4-carboxamide
CID 76948217

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide (CID 115737771) is N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide is CCCC(N)CNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is AVJAWJRZNVUQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-6-13(16)10-17-15(20)12-9-18-19(11-12)14-7-4-3-5-8-14/h3-5,7-9,11,13H,2,6,10,16H2,1H3,(H,17,20).
What are the key properties of N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide?
N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 115737771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).