N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide

C20H21N3O — CID 26912749

IUPACN-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)n1
InChIInChI=1S/C20H21N3O/c1-15-13-16(2)23(21-15)19-11-9-18(10-12-19)20(24)22(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyNRLTUNBGEWNHCK-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.76
Rot. Bonds4

About N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide

N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide (PubChem CID 26912749) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
PubChem CID26912749
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)n1
InChIInChI=1S/C20H21N3O/c1-15-13-16(2)23(21-15)19-11-9-18(10-12-19)20(24)22(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyNRLTUNBGEWNHCK-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
CID 119172398
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 26292074
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26071977
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
N-[(2S)-2,3-dihydroxypropyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 95121318
benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 55588344
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 70717359
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26826334
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55918590
[2-(benzylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2588629
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide?
The IUPAC name of N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide (CID 26912749) is N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide is Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)n1.
What is the InChIKey of N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide?
The InChIKey is NRLTUNBGEWNHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-13-16(2)23(21-15)19-11-9-18(10-12-19)20(24)22(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3.
What are the key properties of N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide?
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide is sourced from PubChem (CID 26912749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).