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

C19H19N3O — CID 51046454

IUPACN-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C19H19N3O/c1-14-8-10-16(11-9-14)17-12-18(21-20-17)19(23)22(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyHVVVQWAPRFYMJX-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.66
Rot. Bonds4

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

N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 51046454) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID51046454
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C19H19N3O/c1-14-8-10-16(11-9-14)17-12-18(21-20-17)19(23)22(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyHVVVQWAPRFYMJX-UHFFFAOYSA-N
XLogP3.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515538
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37137994
N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046469
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 166183764
N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110886500
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166327972
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 75392281
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 63928491
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515544
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 55424539
3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515649

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 51046454) is N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)[nH]n2)cc1.
What is the InChIKey of N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HVVVQWAPRFYMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-8-10-16(11-9-14)17-12-18(21-20-17)19(23)22(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,21).
What are the key properties of N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).