N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide

C20H21N3O — CID 110682735

IUPACN-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-19(16(2)22(3)21-15)20(24)23(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3
InChIKeyLHCVEGMZCNAHOI-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.88
Rot. Bonds4

About N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide

N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide (PubChem CID 110682735) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
PubChem CID110682735
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-19(16(2)22(3)21-15)20(24)23(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3
InChIKeyLHCVEGMZCNAHOI-UHFFFAOYSA-N
XLogP3.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52554768
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52663080
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 30992788
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 78839583
N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384931
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide
CID 172635925
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 171944096
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide (CID 110682735) is N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide?
The InChIKey is LHCVEGMZCNAHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-19(16(2)22(3)21-15)20(24)23(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3.
What are the key properties of N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide?
N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 110682735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).