N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide

C20H21N3O — CID 19456480

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
SMILESCc1c(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cnn1C
InChIInChI=1S/C20H21N3O/c1-15-19(13-21-23(15)3)14-22(2)20(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
InChIKeyUVZWDMAZQWMVOJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.67
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide (PubChem CID 19456480) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
PubChem CID19456480
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
SMILESCc1c(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cnn1C
InChIInChI=1S/C20H21N3O/c1-15-19(13-21-23(15)3)14-22(2)20(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
InChIKeyUVZWDMAZQWMVOJ-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
CID 19456305
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19456466
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 19456475
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 19456514
1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea
CID 125458925
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 19456504
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide
CID 19456365
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 19575688
2-[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482808
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515423
2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid
CID 79596439
4-[[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 60978715

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide (CID 19456480) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide is Cc1c(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide?
The InChIKey is UVZWDMAZQWMVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-19(13-21-23(15)3)14-22(2)20(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 19456480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).