3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide

C14H17N3O — CID 39854489

IUPAC3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCn2cccn2)c1
InChIInChI=1S/C14H17N3O/c1-11-8-12(2)10-13(9-11)14(18)15-5-7-17-6-3-4-16-17/h3-4,6,8-10H,5,7H2,1-2H3,(H,15,18)
InChIKeyWQCDZSCUQRYPOI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.93
Rot. Bonds4

About 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide

3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 39854489) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID39854489
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCn2cccn2)c1
InChIInChI=1S/C14H17N3O/c1-11-8-12(2)10-13(9-11)14(18)15-5-7-17-6-3-4-16-17/h3-4,6,8-10H,5,7H2,1-2H3,(H,15,18)
InChIKeyWQCDZSCUQRYPOI-UHFFFAOYSA-N
XLogP1.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 81089888
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702
1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea
CID 124855579
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588556
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81226293
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide (CID 39854489) is 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide is Cc1cc(C)cc(C(=O)NCCn2cccn2)c1.
What is the InChIKey of 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is WQCDZSCUQRYPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-8-12(2)10-13(9-11)14(18)15-5-7-17-6-3-4-16-17/h3-4,6,8-10H,5,7H2,1-2H3,(H,15,18).
What are the key properties of 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide?
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 39854489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).