N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide

C14H18N4O — CID 63085420

IUPACN-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn[nH]c1)c1ccc(CN)cc1
InChIInChI=1S/C14H18N4O/c1-2-7-18(14(19)12-9-16-17-10-12)13-5-3-11(8-15)4-6-13/h3-6,9-10H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyJATIPJUPHQYFDW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide

N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide (PubChem CID 63085420) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
PubChem CID63085420
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn[nH]c1)c1ccc(CN)cc1
InChIInChI=1S/C14H18N4O/c1-2-7-18(14(19)12-9-16-17-10-12)13-5-3-11(8-15)4-6-13/h3-6,9-10H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyJATIPJUPHQYFDW-UHFFFAOYSA-N
XLogP1.93
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085264
N-[4-(aminomethyl)phenyl]-4-hydroxy-N-propylbenzamide
CID 43275719
N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63234213
N-[4-(aminomethyl)phenyl]-5-fluoro-N-propylpyridine-2-carboxamide
CID 104637938
N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide
CID 114818479
N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
CID 79095271
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
CID 82984391

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide (CID 63085420) is N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide is CCCN(C(=O)c1cn[nH]c1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is JATIPJUPHQYFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-7-18(14(19)12-9-16-17-10-12)13-5-3-11(8-15)4-6-13/h3-6,9-10H,2,7-8,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide?
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63085420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).