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

C14H11ClF2N4 — CID 118864209

IUPAC4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFC(F)c1cc(Cl)cc(-c2cnn(Cc3ccn[nH]3)c2)c1
InChIInChI=1S/C14H11ClF2N4/c15-12-4-9(3-10(5-12)14(16)17)11-6-19-21(7-11)8-13-1-2-18-20-13/h1-7,14H,8H2,(H,18,20)
InChIKeyXXULOVVPELJMEY-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.91
Rot. Bonds4

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

4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (PubChem CID 118864209) has the molecular formula C14H11ClF2N4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
PubChem CID118864209
Molecular FormulaC14H11ClF2N4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFC(F)c1cc(Cl)cc(-c2cnn(Cc3ccn[nH]3)c2)c1
InChIInChI=1S/C14H11ClF2N4/c15-12-4-9(3-10(5-12)14(16)17)11-6-19-21(7-11)8-13-1-2-18-20-13/h1-7,14H,8H2,(H,18,20)
InChIKeyXXULOVVPELJMEY-UHFFFAOYSA-N
XLogP3.91
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-but-2-enedioic acid;4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
CID 118864441
butanedioic acid;4-(3-methylsulfonylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
CID 130446997
2-[4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-1-yl]ethanol
CID 72924283
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 109492429
4-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1H-pyrazole
CID 118864226
5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole
CID 164649717
1-bromo-3-methylsulfonylbenzene;4-(3-methylsulfonylphenyl)-1H-pyrazole;4-(3-methylsulfonylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole;trimethyl-[2-[[4-(3-methylsulfonylphenyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 158149611
3-(difluoromethyl)-5-(1-methylpyrazol-4-yl)aniline
CID 171394100
3-(4-chloropyrazol-1-yl)-1-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidin-1-yl]propan-1-one
CID 167881017
4-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzoic acid
CID 163359312
3-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662509
2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810700

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The IUPAC name of 4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (CID 118864209) is 4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.
What is the SMILES notation for 4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The canonical SMILES for 4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is FC(F)c1cc(Cl)cc(-c2cnn(Cc3ccn[nH]3)c2)c1.
What is the InChIKey of 4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The InChIKey is XXULOVVPELJMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N4/c15-12-4-9(3-10(5-12)14(16)17)11-6-19-21(7-11)8-13-1-2-18-20-13/h1-7,14H,8H2,(H,18,20).
What are the key properties of 4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole has a molecular weight of 308.72 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is sourced from PubChem (CID 118864209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).