2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine

C19H20ClN3 — CID 22244634

IUPAC2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
SMILESCc1nn(-c2ccc(CCN)cc2)c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3/c1-13-19(16-5-7-17(20)8-6-16)14(2)23(22-13)18-9-3-15(4-10-18)11-12-21/h3-10H,11-12,21H2,1-2H3
InChIKeySMFAIFZDZIXJRU-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.31
Rot. Bonds4

About 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine

2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine (PubChem CID 22244634) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
PubChem CID22244634
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
SMILESCc1nn(-c2ccc(CCN)cc2)c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3/c1-13-19(16-5-7-17(20)8-6-16)14(2)23(22-13)18-9-3-15(4-10-18)11-12-21/h3-10H,11-12,21H2,1-2H3
InChIKeySMFAIFZDZIXJRU-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine 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 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine?
The IUPAC name of 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine (CID 22244634) is 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine is Cc1nn(-c2ccc(CCN)cc2)c(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine?
The InChIKey is SMFAIFZDZIXJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-13-19(16-5-7-17(20)8-6-16)14(2)23(22-13)18-9-3-15(4-10-18)11-12-21/h3-10H,11-12,21H2,1-2H3.
What are the key properties of 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine?
2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine has a molecular weight of 325.84 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine is sourced from PubChem (CID 22244634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).