4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole

C16H15ClF2N4 — CID 118864200

IUPAC4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole
SMILESCCn1cncc1Cn1cc(-c2ccc(Cl)c(C(F)F)c2)cn1
InChIInChI=1S/C16H15ClF2N4/c1-2-22-10-20-7-13(22)9-23-8-12(6-21-23)11-3-4-15(17)14(5-11)16(18)19/h3-8,10,16H,2,9H2,1H3
InChIKeyPWOOSCZWCWFZKZ-UHFFFAOYSA-N
MW336.77 g/mol
LogP4.41
Rot. Bonds5

About 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole

4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole (PubChem CID 118864200) has the molecular formula C16H15ClF2N4 and a molecular weight of 336.77 g/mol. Its IUPAC name is 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole
PubChem CID118864200
Molecular FormulaC16H15ClF2N4
Molecular Weight336.77 g/mol
Exact Mass336.10
IUPAC Name4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole
SMILESCCn1cncc1Cn1cc(-c2ccc(Cl)c(C(F)F)c2)cn1
InChIInChI=1S/C16H15ClF2N4/c1-2-22-10-20-7-13(22)9-23-8-12(6-21-23)11-3-4-15(17)14(5-11)16(18)19/h3-8,10,16H,2,9H2,1H3
InChIKeyPWOOSCZWCWFZKZ-UHFFFAOYSA-N
XLogP4.41
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole?
The IUPAC name of 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole (CID 118864200) is 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole?
The canonical SMILES for 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole is CCn1cncc1Cn1cc(-c2ccc(Cl)c(C(F)F)c2)cn1.
What is the InChIKey of 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole?
The InChIKey is PWOOSCZWCWFZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4/c1-2-22-10-20-7-13(22)9-23-8-12(6-21-23)11-3-4-15(17)14(5-11)16(18)19/h3-8,10,16H,2,9H2,1H3.
What are the key properties of 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole?
4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole has a molecular weight of 336.77 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(difluoromethyl)phenyl]-1-[(3-ethylimidazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 118864200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).