4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine

C19H21N3 — CID 82541519

IUPAC4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H21N3/c1-15(20)7-8-16-9-11-17(12-10-16)18-13-21-22(14-18)19-5-3-2-4-6-19/h2-6,9-15H,7-8,20H2,1H3
InChIKeyWYPGVSSPHBCQLY-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.82
Rot. Bonds5

About 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine

4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine (PubChem CID 82541519) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine
PubChem CID82541519
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H21N3/c1-15(20)7-8-16-9-11-17(12-10-16)18-13-21-22(14-18)19-5-3-2-4-6-19/h2-6,9-15H,7-8,20H2,1H3
InChIKeyWYPGVSSPHBCQLY-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
CID 63370517
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
3-[5-(1-phenylpyrazol-4-yl)thiophen-2-yl]butan-1-amine
CID 82542315
4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]phenyl]pyrazole
CID 170539361
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
1-phenyl-4-propylpyrazole
CID 12902534

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine (CID 82541519) is 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine is CC(N)CCc1ccc(-c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine?
The InChIKey is WYPGVSSPHBCQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-15(20)7-8-16-9-11-17(12-10-16)18-13-21-22(14-18)19-5-3-2-4-6-19/h2-6,9-15H,7-8,20H2,1H3.
What are the key properties of 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine?
4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine is sourced from PubChem (CID 82541519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).