1-phenyl-N-(2-phenylethyl)pyrazol-4-amine

C17H17N3 — CID 82539254

IUPAC1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
SMILESc1ccc(CCNc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)11-12-18-16-13-19-20(14-16)17-9-5-2-6-10-17/h1-10,13-14,18H,11-12H2
InChIKeyJGWLJPUCHBGYHM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.53
Rot. Bonds5

About 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine

1-phenyl-N-(2-phenylethyl)pyrazol-4-amine (PubChem CID 82539254) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
PubChem CID82539254
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
SMILESc1ccc(CCNc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)11-12-18-16-13-19-20(14-16)17-9-5-2-6-10-17/h1-10,13-14,18H,11-12H2
InChIKeyJGWLJPUCHBGYHM-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
CID 43543523
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
CID 82539547
1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine
CID 82539438
N-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 82537198
N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 167937484
2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
CID 82538414
N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210594
1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 153390159
ethane;N-(2-phenylethyl)aniline
CID 91194556
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
2-methyl-1-(2-phenylethyl)-3-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111135340
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine?
The IUPAC name of 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine (CID 82539254) is 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine.
What is the SMILES notation for 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine?
The canonical SMILES for 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine is c1ccc(CCNc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine?
The InChIKey is JGWLJPUCHBGYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-7-15(8-4-1)11-12-18-16-13-19-20(14-16)17-9-5-2-6-10-17/h1-10,13-14,18H,11-12H2.
What are the key properties of 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine?
1-phenyl-N-(2-phenylethyl)pyrazol-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylethyl)pyrazol-4-amine is sourced from PubChem (CID 82539254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).