5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole

C27H31FN2O — CID 126586035

IUPAC5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole
SMILESCCC(c1cccc(CCc2cnn(-c3cc(OC)ccc3F)c2C2CC2)c1)C1CC1
InChIInChI=1S/C27H31FN2O/c1-3-24(19-9-10-19)21-6-4-5-18(15-21)7-8-22-17-29-30(27(22)20-11-12-20)26-16-23(31-2)13-14-25(26)28/h4-6,13-17,19-20,24H,3,7-12H2,1-2H3
InChIKeyIQVJPQWBZFBRHT-UHFFFAOYSA-N
MW418.56 g/mol
LogP6.59
Rot. Bonds9

About 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole

5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole (PubChem CID 126586035) has the molecular formula C27H31FN2O and a molecular weight of 418.56 g/mol. Its IUPAC name is 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole
PubChem CID126586035
Molecular FormulaC27H31FN2O
Molecular Weight418.56 g/mol
Exact Mass418.24
IUPAC Name5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole
SMILESCCC(c1cccc(CCc2cnn(-c3cc(OC)ccc3F)c2C2CC2)c1)C1CC1
InChIInChI=1S/C27H31FN2O/c1-3-24(19-9-10-19)21-6-4-5-18(15-21)7-8-22-17-29-30(27(22)20-11-12-20)26-16-23(31-2)13-14-25(26)28/h4-6,13-17,19-20,24H,3,7-12H2,1-2H3
InChIKeyIQVJPQWBZFBRHT-UHFFFAOYSA-N
XLogP6.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126567478
methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate
CID 126581140
(3S)-3-cyclopropyl-3-[3-[[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid
CID 126567407
3-[3-[[5-bromo-1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 126568926
3-cyclopropyl-3-[3-[(E)-2-[5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazol-3-yl]ethenyl]phenyl]propanoic acid
CID 126567435
3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine
CID 118649635
5-bromo-4-(chloromethyl)-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126567418
(3S)-3-[3-[[5-(2-azaspiro[3.3]heptan-2-yl)-1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 126569274
4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole
CID 66437096
(4S)-4-cyclopropyl-4-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]butan-2-one
CID 157291799
ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate
CID 22267642
[(2S)-2-cyclopropyl-2-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]ethyl]-ethylphosphinic acid
CID 167176174

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole?
The IUPAC name of 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole (CID 126586035) is 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole.
What is the SMILES notation for 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole?
The canonical SMILES for 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole is CCC(c1cccc(CCc2cnn(-c3cc(OC)ccc3F)c2C2CC2)c1)C1CC1.
What is the InChIKey of 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole?
The InChIKey is IQVJPQWBZFBRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O/c1-3-24(19-9-10-19)21-6-4-5-18(15-21)7-8-22-17-29-30(27(22)20-11-12-20)26-16-23(31-2)13-14-25(26)28/h4-6,13-17,19-20,24H,3,7-12H2,1-2H3.
What are the key properties of 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole?
5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole has a molecular weight of 418.56 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole is sourced from PubChem (CID 126586035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).