4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole

C14H11ClF2N4O — CID 118864275

IUPAC4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFC(F)Oc1cc(Cl)cc(-c2cnn(Cc3ccn[nH]3)c2)c1
InChIInChI=1S/C14H11ClF2N4O/c15-11-3-9(4-13(5-11)22-14(16)17)10-6-19-21(7-10)8-12-1-2-18-20-12/h1-7,14H,8H2,(H,18,20)
InChIKeyFDBPKEPRZDXSQA-UHFFFAOYSA-N
MW324.72 g/mol
LogP3.58
Rot. Bonds5

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

4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (PubChem CID 118864275) has the molecular formula C14H11ClF2N4O and a molecular weight of 324.72 g/mol. Its IUPAC name is 4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
PubChem CID118864275
Molecular FormulaC14H11ClF2N4O
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC Name4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFC(F)Oc1cc(Cl)cc(-c2cnn(Cc3ccn[nH]3)c2)c1
InChIInChI=1S/C14H11ClF2N4O/c15-11-3-9(4-13(5-11)22-14(16)17)10-6-19-21(7-10)8-12-1-2-18-20-12/h1-7,14H,8H2,(H,18,20)
InChIKeyFDBPKEPRZDXSQA-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The IUPAC name of 4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (CID 118864275) is 4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.
What is the SMILES notation for 4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The canonical SMILES for 4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is FC(F)Oc1cc(Cl)cc(-c2cnn(Cc3ccn[nH]3)c2)c1.
What is the InChIKey of 4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The InChIKey is FDBPKEPRZDXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N4O/c15-11-3-9(4-13(5-11)22-14(16)17)10-6-19-21(7-10)8-12-1-2-18-20-12/h1-7,14H,8H2,(H,18,20).
What are the key properties of 4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
4-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-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-[3-chloro-5-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is sourced from PubChem (CID 118864275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).