N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride

C14H19ClN4O — CID 120830450

IUPACN-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cn[nH]c1-c1ccccc1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-10(15-2)8-16-14(19)12-9-17-18-13(12)11-6-4-3-5-7-11;/h3-7,9-10,15H,8H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyJZEPQZNNZBRWJU-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride

N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 120830450) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID120830450
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cn[nH]c1-c1ccccc1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-10(15-2)8-16-14(19)12-9-17-18-13(12)11-6-4-3-5-7-11;/h3-7,9-10,15H,8H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyJZEPQZNNZBRWJU-UHFFFAOYSA-N
XLogP1.84
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 96570313
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 96570314
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide
CID 111102820
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 80712390

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride (CID 120830450) is N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cn[nH]c1-c1ccccc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is JZEPQZNNZBRWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-10(15-2)8-16-14(19)12-9-17-18-13(12)11-6-4-3-5-7-11;/h3-7,9-10,15H,8H2,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120830450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).