4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole

C15H13ClF2N4O — CID 118864176

IUPAC4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole
SMILESCn1nccc1Cn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1
InChIInChI=1S/C15H13ClF2N4O/c1-21-12(4-5-19-21)9-22-8-11(7-20-22)10-2-3-13(16)14(6-10)23-15(17)18/h2-8,15H,9H2,1H3
InChIKeyBHOUUDZNGWHFHC-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.59
Rot. Bonds5

About 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole

4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole (PubChem CID 118864176) has the molecular formula C15H13ClF2N4O and a molecular weight of 338.75 g/mol. Its IUPAC name is 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole
PubChem CID118864176
Molecular FormulaC15H13ClF2N4O
Molecular Weight338.75 g/mol
Exact Mass338.07
IUPAC Name4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole
SMILESCn1nccc1Cn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1
InChIInChI=1S/C15H13ClF2N4O/c1-21-12(4-5-19-21)9-22-8-11(7-20-22)10-2-3-13(16)14(6-10)23-15(17)18/h2-8,15H,9H2,1H3
InChIKeyBHOUUDZNGWHFHC-UHFFFAOYSA-N
XLogP3.59
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole?
The IUPAC name of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole (CID 118864176) is 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole.
What is the SMILES notation for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole?
The canonical SMILES for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole is Cn1nccc1Cn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1.
What is the InChIKey of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole?
The InChIKey is BHOUUDZNGWHFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N4O/c1-21-12(4-5-19-21)9-22-8-11(7-20-22)10-2-3-13(16)14(6-10)23-15(17)18/h2-8,15H,9H2,1H3.
What are the key properties of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole?
4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole has a molecular weight of 338.75 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole is sourced from PubChem (CID 118864176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).