4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole

C14H11ClF2N4O — CID 118864482

IUPAC4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole
SMILESFC(F)Oc1cc(-c2cnn(Cc3cn[nH]c3)c2)ccc1Cl
InChIInChI=1S/C14H11ClF2N4O/c15-12-2-1-10(3-13(12)22-14(16)17)11-6-20-21(8-11)7-9-4-18-19-5-9/h1-6,8,14H,7H2,(H,18,19)
InChIKeyWQIJWPZIOIFLHO-UHFFFAOYSA-N
MW324.72 g/mol
LogP3.58
Rot. Bonds5

About 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole

4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole (PubChem CID 118864482) has the molecular formula C14H11ClF2N4O and a molecular weight of 324.72 g/mol. Its IUPAC name is 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole
PubChem CID118864482
Molecular FormulaC14H11ClF2N4O
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC Name4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole
SMILESFC(F)Oc1cc(-c2cnn(Cc3cn[nH]c3)c2)ccc1Cl
InChIInChI=1S/C14H11ClF2N4O/c15-12-2-1-10(3-13(12)22-14(16)17)11-6-20-21(8-11)7-9-4-18-19-5-9/h1-6,8,14H,7H2,(H,18,19)
InChIKeyWQIJWPZIOIFLHO-UHFFFAOYSA-N
XLogP3.58
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole
CID 118864208
3-[[4-[4-Chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 118864285
4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
CID 118864437
4-[4-Chloro-3-(difluoromethoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
CID 118864476
US10155727, Example 5
CID 118864176
US10155727, Example 3
CID 118864190
US10155727, Example 10
CID 118864201
US10155727, Example 1
CID 118864225
US10155727, Example 88
CID 118864226
US10155727, Example 8
CID 118864364
US10155727, Example 12
CID 118864386
US10155727, Example 19
CID 118864400

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole?
The IUPAC name of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole (CID 118864482) is 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole.
What is the SMILES notation for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole?
The canonical SMILES for 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole is FC(F)Oc1cc(-c2cnn(Cc3cn[nH]c3)c2)ccc1Cl.
What is the InChIKey of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole?
The InChIKey is WQIJWPZIOIFLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N4O/c15-12-2-1-10(3-13(12)22-14(16)17)11-6-20-21(8-11)7-9-4-18-19-5-9/h1-6,8,14H,7H2,(H,18,19).
What are the key properties of 4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole?
4-[4-chloro-3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazole has a molecular weight of 324.72 g/mol, XLogP of 3.58, 5 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-(1H-pyrazol-4-ylmethyl)pyrazole is sourced from PubChem (CID 118864482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).