5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole

C11H9ClF2N2 — CID 121224671

IUPAC5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(F)F
InChIInChI=1S/C11H9ClF2N2/c1-7-9(11(13)14)10(12)16(15-7)8-5-3-2-4-6-8/h2-6,11H,1H3
InChIKeyJZDXFVQZTJZHNI-UHFFFAOYSA-N
MW242.66 g/mol
LogP3.77
Rot. Bonds2

About 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole

5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole (PubChem CID 121224671) has the molecular formula C11H9ClF2N2 and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole
PubChem CID121224671
Molecular FormulaC11H9ClF2N2
Molecular Weight242.66 g/mol
Exact Mass242.04
IUPAC Name5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(F)F
InChIInChI=1S/C11H9ClF2N2/c1-7-9(11(13)14)10(12)16(15-7)8-5-3-2-4-6-8/h2-6,11H,1H3
InChIKeyJZDXFVQZTJZHNI-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
4-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzenamine
CID 718051
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
2-Chloro-6-(3,5-dimethylpyrazol-1-yl)benzonitrile
CID 2804374
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6483733
1,5-Bis-(4-chloro-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10021211
5-chloro-4-(chloromethyl)-3-methyl-1-phenyl-1H-pyrazole
CID 4962775
1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(4-fluorophenyl)piperazine
CID 8440567
1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 799751
1-(3,4-Dichlorophenyl)-3,5-dimethylpyrazole
CID 1072358

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole?
The IUPAC name of 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole (CID 121224671) is 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole is Cc1nn(-c2ccccc2)c(Cl)c1C(F)F.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole?
The InChIKey is JZDXFVQZTJZHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2/c1-7-9(11(13)14)10(12)16(15-7)8-5-3-2-4-6-8/h2-6,11H,1H3.
What are the key properties of 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole?
5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole has a molecular weight of 242.66 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 121224671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).