[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone

C16H12FN3O2 — CID 70102797

IUPAC[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(O)c1
InChIInChI=1S/C16H12FN3O2/c17-11-6-4-9(5-7-11)14-13(16(18)20-19-14)15(22)10-2-1-3-12(21)8-10/h1-8,21H,(H3,18,19,20)
InChIKeyKOXHKEDWBBYKKR-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.73
Rot. Bonds3

About [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone (PubChem CID 70102797) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone
PubChem CID70102797
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(O)c1
InChIInChI=1S/C16H12FN3O2/c17-11-6-4-9(5-7-11)14-13(16(18)20-19-14)15(22)10-2-1-3-12(21)8-10/h1-8,21H,(H3,18,19,20)
InChIKeyKOXHKEDWBBYKKR-UHFFFAOYSA-N
XLogP2.73
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide
CID 24861475
[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone
CID 70103075
(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone
CID 105489015
3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 144618606
[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]methanone
CID 70104425
3-(4-fluorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 761753
3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 126748750
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783
[4-(3-fluoro-4-hydroxyphenyl)phenyl]-(3-hydroxyphenyl)methanone
CID 56969692
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
5-(4-fluorophenyl)-4-methoxy-1H-pyrazol-3-amine
CID 134439842
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone (CID 70102797) is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone is Nc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(O)c1.
What is the InChIKey of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is KOXHKEDWBBYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-11-6-4-9(5-7-11)14-13(16(18)20-19-14)15(22)10-2-1-3-12(21)8-10/h1-8,21H,(H3,18,19,20).
What are the key properties of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone?
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 297.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 70102797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).