4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C15H17Cl2N3O2 — CID 56965075

IUPAC4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(CO)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C15H17Cl2N3O2/c1-3-11-13(17)14(20(2)19-11)15(22)18-12(8-21)9-4-6-10(16)7-5-9/h4-7,12,21H,3,8H2,1-2H3,(H,18,22)
InChIKeyFICFPYHLVUIETO-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.75
Rot. Bonds5

About 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide

4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 56965075) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID56965075
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(CO)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C15H17Cl2N3O2/c1-3-11-13(17)14(20(2)19-11)15(22)18-12(8-21)9-4-6-10(16)7-5-9/h4-7,12,21H,3,8H2,1-2H3,(H,18,22)
InChIKeyFICFPYHLVUIETO-UHFFFAOYSA-N
XLogP2.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-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-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 56965075) is 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NC(CO)c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is FICFPYHLVUIETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-3-11-13(17)14(20(2)19-11)15(22)18-12(8-21)9-4-6-10(16)7-5-9/h4-7,12,21H,3,8H2,1-2H3,(H,18,22).
What are the key properties of 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 56965075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).