4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole

C17H17ClF2N4O — CID 118864225

IUPAC4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1
InChIInChI=1S/C17H17ClF2N4O/c1-10-14(11(2)23-22-10)5-6-24-9-13(8-21-24)12-3-4-15(18)16(7-12)25-17(19)20/h3-4,7-9,17H,5-6H2,1-2H3,(H,22,23)
InChIKeyCRTYJRKVIQBRIW-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.39
Rot. Bonds6

About 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole

4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 118864225) has the molecular formula C17H17ClF2N4O and a molecular weight of 366.80 g/mol. Its IUPAC name is 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
PubChem CID118864225
Molecular FormulaC17H17ClF2N4O
Molecular Weight366.80 g/mol
Exact Mass366.11
IUPAC Name4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1
InChIInChI=1S/C17H17ClF2N4O/c1-10-14(11(2)23-22-10)5-6-24-9-13(8-21-24)12-3-4-15(18)16(7-12)25-17(19)20/h3-4,7-9,17H,5-6H2,1-2H3,(H,22,23)
InChIKeyCRTYJRKVIQBRIW-UHFFFAOYSA-N
XLogP4.39
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole (CID 118864225) is 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1CCn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1.
What is the InChIKey of 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is CRTYJRKVIQBRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N4O/c1-10-14(11(2)23-22-10)5-6-24-9-13(8-21-24)12-3-4-15(18)16(7-12)25-17(19)20/h3-4,7-9,17H,5-6H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 366.80 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 118864225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).