3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole

C14H15FN2O — CID 71844120

IUPAC3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2ccc(C3CC3)n2)cc1F
InChIInChI=1S/C14H15FN2O/c1-18-14-5-2-10(8-12(14)15)9-17-7-6-13(16-17)11-3-4-11/h2,5-8,11H,3-4,9H2,1H3
InChIKeyOIVUNPJLHSYWQT-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.96
Rot. Bonds4

About 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole

3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole (PubChem CID 71844120) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole
PubChem CID71844120
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2ccc(C3CC3)n2)cc1F
InChIInChI=1S/C14H15FN2O/c1-18-14-5-2-10(8-12(14)15)9-17-7-6-13(16-17)11-3-4-11/h2,5-8,11H,3-4,9H2,1H3
InChIKeyOIVUNPJLHSYWQT-UHFFFAOYSA-N
XLogP2.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
1-(4-methoxybenzyl)-1H-pyrazol-3-amine
CID 17972321
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 880209
3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolamine
CID 2110942
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
3-(4-Butoxy-phenyl)-1-methyl-2H-pyrazol-1-ium
CID 44366980
1-[3-[4-(2-Methylpyrazol-3-yl)phenoxy]propyl]piperidine
CID 56661468
(5S)-1-(4-fluorophenyl)-1'-(4-methoxyphenyl)spiro[4H-indazole-5,6'-cyclohexene]
CID 155538097
2-[[1-(2-Cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 2389775

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole (CID 71844120) is 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2ccc(C3CC3)n2)cc1F.
What is the InChIKey of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole?
The InChIKey is OIVUNPJLHSYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-18-14-5-2-10(8-12(14)15)9-17-7-6-13(16-17)11-3-4-11/h2,5-8,11H,3-4,9H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole?
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole has a molecular weight of 246.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 71844120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).