(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine

C17H16ClN3 — CID 15602982

IUPAC(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESNC[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1
InChIKeyHWVGILTYGZFGLR-KRWDZBQOSA-N
MW297.79 g/mol
LogP3.82
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine

(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (PubChem CID 15602982) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
PubChem CID15602982
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESNC[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1
InChIKeyHWVGILTYGZFGLR-KRWDZBQOSA-N
XLogP3.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

AT-7867
CID 11175137
4-(4-Chlorophenyl)-1H-pyrazol-3-amine
CID 218417
4-(4-methylphenyl)-1H-pyrazole
CID 5212048
(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 15602983
2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 11196322
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 11312547
3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 16658021
N*1*-{(4-Chloro-phenyl)-[4-(1H-pyrazol-4-yl)-phenyl]-methyl}-ethane-1,2-diamine
CID 59446654
4-(4-chlorophenyl)-1H-pyrazole
CID 4425519
N-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 76310396
N-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 76332187
N-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 76332188

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (CID 15602982) is (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is NC[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The InChIKey is HWVGILTYGZFGLR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine has a molecular weight of 297.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 15602982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).