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

C17H18ClN3 — CID 18407264

IUPAC2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine
SMILESNCCN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H18ClN3/c18-15-8-6-14(7-9-15)17-16(12-21(20-17)11-10-19)13-4-2-1-3-5-13/h1-9,16H,10-12,19H2
InChIKeyGHPPZVCTAFMRFC-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.10
Rot. Bonds4

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

2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine (PubChem CID 18407264) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine
PubChem CID18407264
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine
SMILESNCCN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H18ClN3/c18-15-8-6-14(7-9-15)17-16(12-21(20-17)11-10-19)13-4-2-1-3-5-13/h1-9,16H,10-12,19H2
InChIKeyGHPPZVCTAFMRFC-UHFFFAOYSA-N
XLogP3.10
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine (CID 18407264) is 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine is NCCN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine?
The InChIKey is GHPPZVCTAFMRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c18-15-8-6-14(7-9-15)17-16(12-21(20-17)11-10-19)13-4-2-1-3-5-13/h1-9,16H,10-12,19H2.
What are the key properties of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine?
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine has a molecular weight of 299.81 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine is sourced from PubChem (CID 18407264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).