3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole

C16H15ClF2N4O — CID 118864364

IUPAC3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole
SMILESCCn1ccc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)n1
InChIInChI=1S/C16H15ClF2N4O/c1-2-22-6-5-13(21-22)10-23-9-12(8-20-23)11-3-4-14(17)15(7-11)24-16(18)19/h3-9,16H,2,10H2,1H3
InChIKeyPCHBMVPVCPSMLD-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.07
Rot. Bonds6

About 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole

3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole (PubChem CID 118864364) has the molecular formula C16H15ClF2N4O and a molecular weight of 352.77 g/mol. Its IUPAC name is 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole
PubChem CID118864364
Molecular FormulaC16H15ClF2N4O
Molecular Weight352.77 g/mol
Exact Mass352.09
IUPAC Name3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole
SMILESCCn1ccc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)n1
InChIInChI=1S/C16H15ClF2N4O/c1-2-22-6-5-13(21-22)10-23-9-12(8-20-23)11-3-4-14(17)15(7-11)24-16(18)19/h3-9,16H,2,10H2,1H3
InChIKeyPCHBMVPVCPSMLD-UHFFFAOYSA-N
XLogP4.07
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole?
The IUPAC name of 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole (CID 118864364) is 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole.
What is the SMILES notation for 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole?
The canonical SMILES for 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole is CCn1ccc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)n1.
What is the InChIKey of 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole?
The InChIKey is PCHBMVPVCPSMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O/c1-2-22-6-5-13(21-22)10-23-9-12(8-20-23)11-3-4-14(17)15(7-11)24-16(18)19/h3-9,16H,2,10H2,1H3.
What are the key properties of 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole?
3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole has a molecular weight of 352.77 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole is sourced from PubChem (CID 118864364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).