4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C14H14N4O — CID 31843019

IUPAC4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H14N4O/c1-17(9-12-8-16-18(2)10-12)14(19)13-5-3-11(7-15)4-6-13/h3-6,8,10H,9H2,1-2H3
InChIKeyDLEULCPSOZMGQR-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.56
Rot. Bonds3

About 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 31843019) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID31843019
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H14N4O/c1-17(9-12-8-16-18(2)10-12)14(19)13-5-3-11(7-15)4-6-13/h3-6,8,10H,9H2,1-2H3
InChIKeyDLEULCPSOZMGQR-UHFFFAOYSA-N
XLogP1.56
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 4-chloro-1-(2-methylbenzoyl)-
CID 577102
4-chloro-1-(4-fluorobenzoyl)-1H-pyrazole
CID 674652
4-bromo-1-[(3-methylphenyl)carbonyl]-1H-pyrazole
CID 674653
4-bromo-1-[(2-methylphenyl)carbonyl]-1H-pyrazole
CID 674650
4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole
CID 674656
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
CID 2471334
4-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 612918
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 25122012
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 56658415
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 56668800
4-((1H-pyrazol-1-yl)methyl)-N-hydroxybenzamide
CID 60164723

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 31843019) is 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is DLEULCPSOZMGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-17(9-12-8-16-18(2)10-12)14(19)13-5-3-11(7-15)4-6-13/h3-6,8,10H,9H2,1-2H3.
What are the key properties of 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 254.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 31843019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).