2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide

C19H19Cl2N3O — CID 67592154

IUPAC2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide
SMILESCc1cc(Cl)ccc1N1N=C(C(=O)N(C)C)CC1c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O/c1-12-10-15(21)8-9-17(12)24-18(13-4-6-14(20)7-5-13)11-16(22-24)19(25)23(2)3/h4-10,18H,11H2,1-3H3
InChIKeyPCJSWDLEVFJZHR-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.70
Rot. Bonds3

About 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide

2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 67592154) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID67592154
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide
SMILESCc1cc(Cl)ccc1N1N=C(C(=O)N(C)C)CC1c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O/c1-12-10-15(21)8-9-17(12)24-18(13-4-6-14(20)7-5-13)11-16(22-24)19(25)23(2)3/h4-10,18H,11H2,1-3H3
InChIKeyPCJSWDLEVFJZHR-UHFFFAOYSA-N
XLogP4.70
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide (CID 67592154) is 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide is Cc1cc(Cl)ccc1N1N=C(C(=O)N(C)C)CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is PCJSWDLEVFJZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-12-10-15(21)8-9-17(12)24-18(13-4-6-14(20)7-5-13)11-16(22-24)19(25)23(2)3/h4-10,18H,11H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide?
2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 376.29 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-N,N-dimethyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 67592154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).