2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine

C17H16ClN3 — CID 105096491

IUPAC2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccccc1Cl)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H16ClN3/c18-15-9-5-4-6-13(15)12-16(19)17-10-11-21(20-17)14-7-2-1-3-8-14/h1-11,16H,12,19H2
InChIKeyWLEMLSWTHYWTPT-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine

2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine (PubChem CID 105096491) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
PubChem CID105096491
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccccc1Cl)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H16ClN3/c18-15-9-5-4-6-13(15)12-16(19)17-10-11-21(20-17)14-7-2-1-3-8-14/h1-11,16H,12,19H2
InChIKeyWLEMLSWTHYWTPT-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105135243
(1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine
CID 166163975
2-(3-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105086005
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 107361673
2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine
CID 60819170
2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105157346
2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105126317
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
CID 107361942
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
CID 105089447
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651
2-(3-methylphenyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105077898

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine (CID 105096491) is 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine is NC(Cc1ccccc1Cl)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine?
The InChIKey is WLEMLSWTHYWTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-15-9-5-4-6-13(15)12-16(19)17-10-11-21(20-17)14-7-2-1-3-8-14/h1-11,16H,12,19H2.
What are the key properties of 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine?
2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine has a molecular weight of 297.79 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105096491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).