(4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone

C11H9FN2O2 — CID 135056760

IUPAC(4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2[nH]ncc2F)c1
InChIInChI=1S/C11H9FN2O2/c1-16-8-4-2-3-7(5-8)11(15)10-9(12)6-13-14-10/h2-6H,1H3,(H,13,14)
InChIKeyJKTYPNKCCCUCTB-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.79
Rot. Bonds3

About (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone

(4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone (PubChem CID 135056760) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone
PubChem CID135056760
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name(4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2[nH]ncc2F)c1
InChIInChI=1S/C11H9FN2O2/c1-16-8-4-2-3-7(5-8)11(15)10-9(12)6-13-14-10/h2-6H,1H3,(H,13,14)
InChIKeyJKTYPNKCCCUCTB-UHFFFAOYSA-N
XLogP1.79
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-(3,5-Dimethyl-1H-pyrazol-4-yl)-propoxy)-4-fluoro-benzoic acid methyl ester
CID 90235879
3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 776333
3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 737224
3-(4-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 3782278
3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 3312872
(3-methoxyphenyl)(1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)methanone
CID 16189097
Methyl 3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 645705
3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 12189273
5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole
CID 1482912
(4-fluorophenyl)(1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)methanone
CID 2812608
{1-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(3-methoxyphenyl)methanone
CID 16190527
3-(3-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 6483841

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone (CID 135056760) is (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2[nH]ncc2F)c1.
What is the InChIKey of (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone?
The InChIKey is JKTYPNKCCCUCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-16-8-4-2-3-7(5-8)11(15)10-9(12)6-13-14-10/h2-6H,1H3,(H,13,14).
What are the key properties of (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone?
(4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone has a molecular weight of 220.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 135056760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).