1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole

C21H20F2N2O2 — CID 21106725

IUPAC1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2cccc(F)c2F)cc1C1CCCO1
InChIInChI=1S/C21H20F2N2O2/c1-26-19-8-7-14(12-16(19)20-6-3-11-27-20)18-9-10-24-25(18)13-15-4-2-5-17(22)21(15)23/h2,4-5,7-10,12,20H,3,6,11,13H2,1H3
InChIKeyPNIFMPQXDVROCI-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.74
Rot. Bonds5

About 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole

1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole (PubChem CID 21106725) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole
PubChem CID21106725
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2cccc(F)c2F)cc1C1CCCO1
InChIInChI=1S/C21H20F2N2O2/c1-26-19-8-7-14(12-16(19)20-6-3-11-27-20)18-9-10-24-25(18)13-15-4-2-5-17(22)21(15)23/h2,4-5,7-10,12,20H,3,6,11,13H2,1H3
InChIKeyPNIFMPQXDVROCI-UHFFFAOYSA-N
XLogP4.74
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
3-fluoro-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471321
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
3-methyl-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471279
3-fluoro-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471284
(R)-3-fluoro-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471404
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
2-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}isoxazolidine
CID 16191137
3-methoxy-1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine
CID 16191202
1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-(tetrahydro-2-furanylmethyl)methanamine
CID 16192021

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole (CID 21106725) is 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole is COc1ccc(-c2ccnn2Cc2cccc(F)c2F)cc1C1CCCO1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole?
The InChIKey is PNIFMPQXDVROCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-26-19-8-7-14(12-16(19)20-6-3-11-27-20)18-9-10-24-25(18)13-15-4-2-5-17(22)21(15)23/h2,4-5,7-10,12,20H,3,6,11,13H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole?
1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole has a molecular weight of 370.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yl)phenyl]pyrazole is sourced from PubChem (CID 21106725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).