3-[(1-phenylpyrazol-4-yl)amino]phenol

C15H13N3O — CID 82537317

IUPAC3-[(1-phenylpyrazol-4-yl)amino]phenol
SMILESOc1cccc(Nc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C15H13N3O/c19-15-8-4-5-12(9-15)17-13-10-16-18(11-13)14-6-2-1-3-7-14/h1-11,17,19H
InChIKeyAKOHHHXSBULRCQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.32
Rot. Bonds3

About 3-[(1-phenylpyrazol-4-yl)amino]phenol

3-[(1-phenylpyrazol-4-yl)amino]phenol (PubChem CID 82537317) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(1-phenylpyrazol-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(1-phenylpyrazol-4-yl)amino]phenol
PubChem CID82537317
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-[(1-phenylpyrazol-4-yl)amino]phenol
SMILESOc1cccc(Nc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C15H13N3O/c19-15-8-4-5-12(9-15)17-13-10-16-18(11-13)14-6-2-1-3-7-14/h1-11,17,19H
InChIKeyAKOHHHXSBULRCQ-UHFFFAOYSA-N
XLogP3.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 82537198
3-(1,2-oxazol-4-ylamino)phenol
CID 115014644
N-(1-phenylpyrazol-4-yl)quinolin-8-amine
CID 82536218
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
3-(pyridin-4-ylamino)phenol
CID 13098457
2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
CID 82538414
(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9033178
1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
CID 82539254
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
3-bromo-N-[1-(1-phenylpyrazol-4-yl)ethyl]aniline
CID 81472821
2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
CID 17088872
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylpyrazol-4-yl)amino]phenol?
The IUPAC name of 3-[(1-phenylpyrazol-4-yl)amino]phenol (CID 82537317) is 3-[(1-phenylpyrazol-4-yl)amino]phenol.
What is the SMILES notation for 3-[(1-phenylpyrazol-4-yl)amino]phenol?
The canonical SMILES for 3-[(1-phenylpyrazol-4-yl)amino]phenol is Oc1cccc(Nc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 3-[(1-phenylpyrazol-4-yl)amino]phenol?
The InChIKey is AKOHHHXSBULRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15-8-4-5-12(9-15)17-13-10-16-18(11-13)14-6-2-1-3-7-14/h1-11,17,19H.
What are the key properties of 3-[(1-phenylpyrazol-4-yl)amino]phenol?
3-[(1-phenylpyrazol-4-yl)amino]phenol has a molecular weight of 251.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylpyrazol-4-yl)amino]phenol is sourced from PubChem (CID 82537317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).