N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide

C18H17N3O — CID 53490368

IUPACN-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(-c2[nH]ncc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H17N3O/c1-13-6-5-9-15(10-13)17-16(12-20-21-17)18(22)19-11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyAYJXOSVIKHZZLT-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.32
Rot. Bonds4

About N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide

N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 53490368) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID53490368
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(-c2[nH]ncc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H17N3O/c1-13-6-5-9-15(10-13)17-16(12-20-21-17)18(22)19-11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyAYJXOSVIKHZZLT-UHFFFAOYSA-N
XLogP3.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824470
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824226
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide (CID 53490368) is N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide is Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AYJXOSVIKHZZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-6-5-9-15(10-13)17-16(12-20-21-17)18(22)19-11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide?
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53490368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).