(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine

C17H17N3 — CID 63370517

IUPAC(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(-n2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C17H17N3/c1-13(18)14-7-9-17(10-8-14)20-12-16(11-19-20)15-5-3-2-4-6-15/h2-13H,18H2,1H3/t13-/m0/s1
InChIKeyUCSRJAPWIAPTBB-ZDUSSCGKSA-N
MW263.34 g/mol
LogP3.56
Rot. Bonds3

About (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine

(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 63370517) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
PubChem CID63370517
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(-n2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C17H17N3/c1-13(18)14-7-9-17(10-8-14)20-12-16(11-19-20)15-5-3-2-4-6-15/h2-13H,18H2,1H3/t13-/m0/s1
InChIKeyUCSRJAPWIAPTBB-ZDUSSCGKSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanamine
CID 78937576
(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 78937565
4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine
CID 82541519
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
CID 143877743
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83109942
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768
6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80841993
5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 80857400

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (CID 63370517) is (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine is C[C@H](N)c1ccc(-n2cc(-c3ccccc3)cn2)cc1.
What is the InChIKey of (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is UCSRJAPWIAPTBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(18)14-7-9-17(10-8-14)20-12-16(11-19-20)15-5-3-2-4-6-15/h2-13H,18H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine?
(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63370517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).