3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole

C22H22F2N2O2 — CID 11773534

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole
SMILESCOc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1OC1CCCC1
InChIInChI=1S/C22H22F2N2O2/c1-27-20-10-9-15(13-21(20)28-17-6-2-3-7-17)19-11-12-26(25-19)14-16-5-4-8-18(23)22(16)24/h4-5,8-13,17H,2-3,6-7,14H2,1H3
InChIKeyHJPMCAPHRDIWKK-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.21
Rot. Bonds6

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole

3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole (PubChem CID 11773534) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole
PubChem CID11773534
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole
SMILESCOc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1OC1CCCC1
InChIInChI=1S/C22H22F2N2O2/c1-27-20-10-9-15(13-21(20)28-17-6-2-3-7-17)19-11-12-26(25-19)14-16-5-4-8-18(23)22(16)24/h4-5,8-13,17H,2-3,6-7,14H2,1H3
InChIKeyHJPMCAPHRDIWKK-UHFFFAOYSA-N
XLogP5.21
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole (CID 11773534) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole is COc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole?
The InChIKey is HJPMCAPHRDIWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-27-20-10-9-15(13-21(20)28-17-6-2-3-7-17)19-11-12-26(25-19)14-16-5-4-8-18(23)22(16)24/h4-5,8-13,17H,2-3,6-7,14H2,1H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole?
3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole has a molecular weight of 384.43 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,3-difluorophenyl)methyl]pyrazole is sourced from PubChem (CID 11773534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).