4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole

C14H11F3N4 — CID 118864417

IUPAC4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFc1ccc(-c2cnn(Cc3ccn[nH]3)c2)cc1C(F)F
InChIInChI=1S/C14H11F3N4/c15-13-2-1-9(5-12(13)14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
InChIKeySBFDBMKEWKLRSB-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.40
Rot. Bonds4

About 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole

4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (PubChem CID 118864417) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
PubChem CID118864417
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFc1ccc(-c2cnn(Cc3ccn[nH]3)c2)cc1C(F)F
InChIInChI=1S/C14H11F3N4/c15-13-2-1-9(5-12(13)14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
InChIKeySBFDBMKEWKLRSB-UHFFFAOYSA-N
XLogP3.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The IUPAC name of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (CID 118864417) is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.
What is the SMILES notation for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The canonical SMILES for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is Fc1ccc(-c2cnn(Cc3ccn[nH]3)c2)cc1C(F)F.
What is the InChIKey of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The InChIKey is SBFDBMKEWKLRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-13-2-1-9(5-12(13)14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20).
What are the key properties of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole has a molecular weight of 292.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is sourced from PubChem (CID 118864417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).