4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole

C16H15ClF2N4O — CID 118864208

IUPAC4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole
SMILESCCc1[nH]ncc1Cn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1
InChIInChI=1S/C16H15ClF2N4O/c1-2-14-12(6-20-22-14)9-23-8-11(7-21-23)10-3-4-13(17)15(5-10)24-16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22)
InChIKeyIZRNPSABLKZTLN-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.14
Rot. Bonds6

About 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole

4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole (PubChem CID 118864208) has the molecular formula C16H15ClF2N4O and a molecular weight of 352.77 g/mol. Its IUPAC name is 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole
PubChem CID118864208
Molecular FormulaC16H15ClF2N4O
Molecular Weight352.77 g/mol
Exact Mass352.09
IUPAC Name4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole
SMILESCCc1[nH]ncc1Cn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1
InChIInChI=1S/C16H15ClF2N4O/c1-2-14-12(6-20-22-14)9-23-8-11(7-21-23)10-3-4-13(17)15(5-10)24-16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22)
InChIKeyIZRNPSABLKZTLN-UHFFFAOYSA-N
XLogP4.14
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole?
The IUPAC name of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole (CID 118864208) is 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole?
The canonical SMILES for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole is CCc1[nH]ncc1Cn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1.
What is the InChIKey of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole?
The InChIKey is IZRNPSABLKZTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O/c1-2-14-12(6-20-22-14)9-23-8-11(7-21-23)10-3-4-13(17)15(5-10)24-16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22).
What are the key properties of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole?
4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole has a molecular weight of 352.77 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 118864208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).