1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide

C22H26N4O — CID 119429455

IUPAC1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCNCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C22H26N4O/c1-17-9-11-19(12-10-17)21-20(22(27)24-14-6-13-23-2)16-26(25-21)15-18-7-4-3-5-8-18/h3-5,7-12,16,23H,6,13-15H2,1-2H3,(H,24,27)
InChIKeyGYOHMPWKJJCIPC-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.25
Rot. Bonds8

About 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide

1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 119429455) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID119429455
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCNCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C22H26N4O/c1-17-9-11-19(12-10-17)21-20(22(27)24-14-6-13-23-2)16-26(25-21)15-18-7-4-3-5-8-18/h3-5,7-12,16,23H,6,13-15H2,1-2H3,(H,24,27)
InChIKeyGYOHMPWKJJCIPC-UHFFFAOYSA-N
XLogP3.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119995333
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 119429455) is 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide is CNCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1.
What is the InChIKey of 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is GYOHMPWKJJCIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-9-11-19(12-10-17)21-20(22(27)24-14-6-13-23-2)16-26(25-21)15-18-7-4-3-5-8-18/h3-5,7-12,16,23H,6,13-15H2,1-2H3,(H,24,27).
What are the key properties of 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide?
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119429455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).