5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine

C15H9ClF4N4 — CID 177188518

IUPAC5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine
SMILESFc1ccc(-c2cc(C(F)F)nn2Cc2ncc(Cl)cn2)cc1F
InChIInChI=1S/C15H9ClF4N4/c16-9-5-21-14(22-6-9)7-24-13(4-12(23-24)15(19)20)8-1-2-10(17)11(18)3-8/h1-6,15H,7H2
InChIKeyZSVIFAHEEHBVAT-UHFFFAOYSA-N
MW356.71 g/mol
LogP4.26
Rot. Bonds4

About 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine

5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine (PubChem CID 177188518) has the molecular formula C15H9ClF4N4 and a molecular weight of 356.71 g/mol. Its IUPAC name is 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine
PubChem CID177188518
Molecular FormulaC15H9ClF4N4
Molecular Weight356.71 g/mol
Exact Mass356.05
IUPAC Name5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine
SMILESFc1ccc(-c2cc(C(F)F)nn2Cc2ncc(Cl)cn2)cc1F
InChIInChI=1S/C15H9ClF4N4/c16-9-5-21-14(22-6-9)7-24-13(4-12(23-24)15(19)20)8-1-2-10(17)11(18)3-8/h1-6,15H,7H2
InChIKeyZSVIFAHEEHBVAT-UHFFFAOYSA-N
XLogP4.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine (CID 177188518) is 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine is Fc1ccc(-c2cc(C(F)F)nn2Cc2ncc(Cl)cn2)cc1F.
What is the InChIKey of 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine?
The InChIKey is ZSVIFAHEEHBVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N4/c16-9-5-21-14(22-6-9)7-24-13(4-12(23-24)15(19)20)8-1-2-10(17)11(18)3-8/h1-6,15H,7H2.
What are the key properties of 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine has a molecular weight of 356.71 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 177188518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).