2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine

C26H25N3 — CID 143052880

IUPAC2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine
SMILESC=C(Cc1ccc(CCc2ccccc2)cc1)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C26H25N3/c1-21(28-26-18-19-27-29(26)25-10-6-3-7-11-25)20-24-16-14-23(15-17-24)13-12-22-8-4-2-5-9-22/h2-11,14-19,28H,1,12-13,20H2
InChIKeySQYHVGUNLXICAZ-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.83
Rot. Bonds8

About 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine

2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine (PubChem CID 143052880) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine
PubChem CID143052880
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine
SMILESC=C(Cc1ccc(CCc2ccccc2)cc1)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C26H25N3/c1-21(28-26-18-19-27-29(26)25-10-6-3-7-11-25)20-24-16-14-23(15-17-24)13-12-22-8-4-2-5-9-22/h2-11,14-19,28H,1,12-13,20H2
InChIKeySQYHVGUNLXICAZ-UHFFFAOYSA-N
XLogP5.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine
CID 143053211
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2-phenyl-N-propylpyrazol-3-amine
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CID 142904185
2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide
CID 59420626
5-benzyl-1-phenylpyrazole
CID 14003889
3-phenyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330546
1-(2-phenylpyrazol-3-yl)ethenamine
CID 169217922
N-cyclopentyl-2-phenylpyrazol-3-amine
CID 57245432
N-cyclobutyl-2-phenylpyrazol-3-amine
CID 141299953
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CID 146091632

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine?
The IUPAC name of 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine (CID 143052880) is 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine.
What is the SMILES notation for 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine?
The canonical SMILES for 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine is C=C(Cc1ccc(CCc2ccccc2)cc1)Nc1ccnn1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine?
The InChIKey is SQYHVGUNLXICAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-21(28-26-18-19-27-29(26)25-10-6-3-7-11-25)20-24-16-14-23(15-17-24)13-12-22-8-4-2-5-9-22/h2-11,14-19,28H,1,12-13,20H2.
What are the key properties of 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine?
2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine has a molecular weight of 379.51 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine is sourced from PubChem (CID 143052880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).