N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

C19H19N3O — CID 8810657

IUPACN,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H19N3O/c1-15-8-10-17(11-9-15)19(23)21(2)13-16-12-20-22(14-16)18-6-4-3-5-7-18/h3-12,14H,13H2,1-2H3
InChIKeyWFPPBMRKHQPKQA-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.45
Rot. Bonds4

About N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 8810657) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID8810657
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H19N3O/c1-15-8-10-17(11-9-15)19(23)21(2)13-16-12-20-22(14-16)18-6-4-3-5-7-18/h3-12,14H,13H2,1-2H3
InChIKeyWFPPBMRKHQPKQA-UHFFFAOYSA-N
XLogP3.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
6-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 17458039
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46512897
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760063

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 8810657) is N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is WFPPBMRKHQPKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15-8-10-17(11-9-15)19(23)21(2)13-16-12-20-22(14-16)18-6-4-3-5-7-18/h3-12,14H,13H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 305.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 8810657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).