N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride

C22H27ClN4O — CID 119995333

IUPACN-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(C)CN)cc1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-16-8-10-19(11-9-16)21-20(22(27)24-13-17(2)12-23)15-26(25-21)14-18-6-4-3-5-7-18;/h3-11,15,17H,12-14,23H2,1-2H3,(H,24,27);1H
InChIKeyZPLXFWBCHGPAGV-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.65
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119995333) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119995333
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(C)CN)cc1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-16-8-10-19(11-9-16)21-20(22(27)24-13-17(2)12-23)15-26(25-21)14-18-6-4-3-5-7-18;/h3-11,15,17H,12-14,23H2,1-2H3,(H,24,27);1H
InChIKeyZPLXFWBCHGPAGV-UHFFFAOYSA-N
XLogP3.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
CID 90280333
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 120944204
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride (CID 119995333) is N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(C)CN)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is ZPLXFWBCHGPAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.ClH/c1-16-8-10-19(11-9-16)21-20(22(27)24-13-17(2)12-23)15-26(25-21)14-18-6-4-3-5-7-18;/h3-11,15,17H,12-14,23H2,1-2H3,(H,24,27);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119995333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).