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

C21H20F2N2O3 — CID 21106724

IUPAC1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2cccc(F)c2F)cc1OC1CCCO1
InChIInChI=1S/C21H20F2N2O3/c1-26-18-8-7-14(12-19(18)28-20-6-3-11-27-20)17-9-10-24-25(17)13-15-4-2-5-16(22)21(15)23/h2,4-5,7-10,12,20H,3,6,11,13H2,1H3
InChIKeyNRTXRQJNHMKDEU-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.40
Rot. Bonds6

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

1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole (PubChem CID 21106724) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole
PubChem CID21106724
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2cccc(F)c2F)cc1OC1CCCO1
InChIInChI=1S/C21H20F2N2O3/c1-26-18-8-7-14(12-19(18)28-20-6-3-11-27-20)17-9-10-24-25(17)13-15-4-2-5-16(22)21(15)23/h2,4-5,7-10,12,20H,3,6,11,13H2,1H3
InChIKeyNRTXRQJNHMKDEU-UHFFFAOYSA-N
XLogP4.40
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole (CID 21106724) is 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole is COc1ccc(-c2ccnn2Cc2cccc(F)c2F)cc1OC1CCCO1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole?
The InChIKey is NRTXRQJNHMKDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-26-18-8-7-14(12-19(18)28-20-6-3-11-27-20)17-9-10-24-25(17)13-15-4-2-5-16(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-yloxy)phenyl]pyrazole?
1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole has a molecular weight of 386.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole is sourced from PubChem (CID 21106724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).