1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

C21H23N3O2 — CID 78803173

IUPAC1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(C)O)cc1
InChIInChI=1S/C21H23N3O2/c1-15-8-10-18(11-9-15)20-19(21(26)22-12-16(2)25)14-24(23-20)13-17-6-4-3-5-7-17/h3-11,14,16,25H,12-13H2,1-2H3,(H,22,26)
InChIKeyHSIJJGIIIAKJEW-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.02
Rot. Bonds6

About 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 78803173) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID78803173
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(C)O)cc1
InChIInChI=1S/C21H23N3O2/c1-15-8-10-18(11-9-15)20-19(21(26)22-12-16(2)25)14-24(23-20)13-17-6-4-3-5-7-17/h3-11,14,16,25H,12-13H2,1-2H3,(H,22,26)
InChIKeyHSIJJGIIIAKJEW-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
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
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
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 78803173) is 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(C)O)cc1.
What is the InChIKey of 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is HSIJJGIIIAKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-8-10-18(11-9-15)20-19(21(26)22-12-16(2)25)14-24(23-20)13-17-6-4-3-5-7-17/h3-11,14,16,25H,12-13H2,1-2H3,(H,22,26).
What are the key properties of 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78803173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).