4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide

C19H15ClN4O — CID 26289954

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
SMILESCc1nn(-c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)c(C)c1Cl
InChIInChI=1S/C19H15ClN4O/c1-12-18(20)13(2)24(23-12)17-9-5-15(6-10-17)19(25)22-16-7-3-14(11-21)4-8-16/h3-10H,1-2H3,(H,22,25)
InChIKeyWPVNATVVRSPWJS-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.27
Rot. Bonds3

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide (PubChem CID 26289954) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
PubChem CID26289954
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
SMILESCc1nn(-c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)c(C)c1Cl
InChIInChI=1S/C19H15ClN4O/c1-12-18(20)13(2)24(23-12)17-9-5-15(6-10-17)19(25)22-16-7-3-14(11-21)4-8-16/h3-10H,1-2H3,(H,22,25)
InChIKeyWPVNATVVRSPWJS-UHFFFAOYSA-N
XLogP4.27
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-cyanophenyl)methoxy]benzamide
CID 156902361
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide
CID 47071590
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 32965127
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 156902294
4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 35532568
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032045
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide (CID 26289954) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide is Cc1nn(-c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide?
The InChIKey is WPVNATVVRSPWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-18(20)13(2)24(23-12)17-9-5-15(6-10-17)19(25)22-16-7-3-14(11-21)4-8-16/h3-10H,1-2H3,(H,22,25).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide has a molecular weight of 350.81 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide is sourced from PubChem (CID 26289954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).