4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole

C17H17ClF2N4O — CID 118864201

IUPAC4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole
SMILESCCn1cc(CCn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)cn1
InChIInChI=1S/C17H17ClF2N4O/c1-2-23-10-12(8-21-23)5-6-24-11-14(9-22-24)13-3-4-15(18)16(7-13)25-17(19)20/h3-4,7-11,17H,2,5-6H2,1H3
InChIKeyWXLDTHJZQFCOMH-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.26
Rot. Bonds7

About 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole

4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole (PubChem CID 118864201) has the molecular formula C17H17ClF2N4O and a molecular weight of 366.80 g/mol. Its IUPAC name is 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole.

Molecular Properties

Compound Name4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole
PubChem CID118864201
Molecular FormulaC17H17ClF2N4O
Molecular Weight366.80 g/mol
Exact Mass366.11
IUPAC Name4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole
SMILESCCn1cc(CCn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)cn1
InChIInChI=1S/C17H17ClF2N4O/c1-2-23-10-12(8-21-23)5-6-24-11-14(9-22-24)13-3-4-15(18)16(7-13)25-17(19)20/h3-4,7-11,17H,2,5-6H2,1H3
InChIKeyWXLDTHJZQFCOMH-UHFFFAOYSA-N
XLogP4.26
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]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-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole?
The IUPAC name of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole (CID 118864201) is 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole.
What is the SMILES notation for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole?
The canonical SMILES for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole is CCn1cc(CCn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)cn1.
What is the InChIKey of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole?
The InChIKey is WXLDTHJZQFCOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N4O/c1-2-23-10-12(8-21-23)5-6-24-11-14(9-22-24)13-3-4-15(18)16(7-13)25-17(19)20/h3-4,7-11,17H,2,5-6H2,1H3.
What are the key properties of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole?
4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole has a molecular weight of 366.80 g/mol, XLogP of 4.26, 7 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-(1-ethylpyrazol-4-yl)ethyl]pyrazole is sourced from PubChem (CID 118864201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).