[3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone

C19H16FN3O3 — CID 2999309

IUPAC[3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)c1
InChIInChI=1S/C19H16FN3O3/c1-22(2)15-5-3-4-12(8-15)19(26)23-11-13(10-21-23)18(25)16-9-14(20)6-7-17(16)24/h3-11,24H,1-2H3
InChIKeyTVYLKCWJJZHCMH-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.71
Rot. Bonds4

About [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone (PubChem CID 2999309) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone
PubChem CID2999309
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name[3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)c1
InChIInChI=1S/C19H16FN3O3/c1-22(2)15-5-3-4-12(8-15)19(26)23-11-13(10-21-23)18(25)16-9-14(20)6-7-17(16)24/h3-11,24H,1-2H3
InChIKeyTVYLKCWJJZHCMH-UHFFFAOYSA-N
XLogP2.71
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-Fluoro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 854139
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone
CID 688697
(5-Bromo-2-hydroxy-phenyl)-(1-phenyl-1H-pyrazol-4-yl)ketone
CID 688693
(2-hydroxyphenyl)[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 1481827
[1-(4-chlorophenyl)-1H-pyrazol-4-yl](2-hydroxyphenyl)methanone
CID 1481828
(2-hydroxyphenyl)[1-(4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1481829
[4-(2-Hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 2116213
(2-hydroxy-5-isopropylphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 902212
4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]benzoic Acid
CID 1478023
[1-(3-fluorophenyl)-1H-pyrazol-4-yl](2-hydroxyphenyl)methanone
CID 1482067
[3-(Dimethylamino)phenyl]-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]methanone
CID 4331100
Tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
CID 4792870

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone (CID 2999309) is [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone is CN(C)c1cccc(C(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone?
The InChIKey is TVYLKCWJJZHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-22(2)15-5-3-4-12(8-15)19(26)23-11-13(10-21-23)18(25)16-9-14(20)6-7-17(16)24/h3-11,24H,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone has a molecular weight of 353.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2999309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).