4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide

C14H15Cl2N3O — CID 850811

IUPAC4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-3-4-11-12(16)13(19(2)18-11)14(20)17-10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,20)
InChIKeyTUXDIICIQIFUCK-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.93
Rot. Bonds4

About 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide

4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 850811) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID850811
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-3-4-11-12(16)13(19(2)18-11)14(20)17-10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,20)
InChIKeyTUXDIICIQIFUCK-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide (CID 850811) is 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1nn(C)c(C(=O)Nc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is TUXDIICIQIFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-3-4-11-12(16)13(19(2)18-11)14(20)17-10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,20).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 312.20 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 850811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).