2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide

C14H12Cl2N4O — CID 2320430

IUPAC2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(CCC#N)n1
InChIInChI=1S/C14H12Cl2N4O/c1-9-7-13(20(19-9)6-2-5-17)18-14(21)11-4-3-10(15)8-12(11)16/h3-4,7-8H,2,6H2,1H3,(H,18,21)
InChIKeyUDWHMJVCHLYPQP-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.66
Rot. Bonds4

About 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide

2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 2320430) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID2320430
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(CCC#N)n1
InChIInChI=1S/C14H12Cl2N4O/c1-9-7-13(20(19-9)6-2-5-17)18-14(21)11-4-3-10(15)8-12(11)16/h3-4,7-8H,2,6H2,1H3,(H,18,21)
InChIKeyUDWHMJVCHLYPQP-UHFFFAOYSA-N
XLogP3.66
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330985
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
Benzamide, N-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 2818761
2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 5121984
(4-Chloro-phenyl)-(3-methyl-5-phenylamino-pyrazol-1-yl)-methanone
CID 811890
N-[4-[(4-bromoanilino)-(diethylamino)phosphoryl]-1-(2-cyanoethyl)-3-methylpyrazol-5-yl]-4-chlorobenzamide
CID 2316385
4-chloro-N-[1-(2-cyanoethyl)pyrazol-3-yl]benzamide
CID 2334898
N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 2818776

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide (CID 2320430) is 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(CCC#N)n1.
What is the InChIKey of 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is UDWHMJVCHLYPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-9-7-13(20(19-9)6-2-5-17)18-14(21)11-4-3-10(15)8-12(11)16/h3-4,7-8H,2,6H2,1H3,(H,18,21).
What are the key properties of 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide?
2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 323.18 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 2320430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).