4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole

C15H21FN2O — CID 142184104

IUPAC4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole
SMILESCOCCN1CC(c2ccc(F)cc2)C(C(C)C)=N1
InChIInChI=1S/C15H21FN2O/c1-11(2)15-14(10-18(17-15)8-9-19-3)12-4-6-13(16)7-5-12/h4-7,11,14H,8-10H2,1-3H3
InChIKeyXZMYUJHANJBIMQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.88
Rot. Bonds5

About 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole

4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole (PubChem CID 142184104) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole
PubChem CID142184104
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole
SMILESCOCCN1CC(c2ccc(F)cc2)C(C(C)C)=N1
InChIInChI=1S/C15H21FN2O/c1-11(2)15-14(10-18(17-15)8-9-19-3)12-4-6-13(16)7-5-12/h4-7,11,14H,8-10H2,1-3H3
InChIKeyXZMYUJHANJBIMQ-UHFFFAOYSA-N
XLogP2.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
CID 88927756
3-(4-Fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
CID 71041197
(3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 71041218
1-[5-Butyl-4-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 71184805
3-(3-Fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 77866851
5-Butyl-4-(2-fluorophenyl)-3,4-dihydropyrazole-2-carbaldehyde
CID 87774617
N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 123252906
3-(4-Fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 123441685
5-Pentyl-4-phenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole
CID 141176007
2-[2-(4-Fluorophenyl)ethyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole
CID 141176023
(3R)-3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 144628957
(3R,4S)-3-(3-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
CID 145126320

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole (CID 142184104) is 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole is COCCN1CC(c2ccc(F)cc2)C(C(C)C)=N1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole?
The InChIKey is XZMYUJHANJBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(2)15-14(10-18(17-15)8-9-19-3)12-4-6-13(16)7-5-12/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole?
4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole has a molecular weight of 264.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 142184104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).