5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole

C12H9Cl2F3N2 — CID 66016106

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C12H9Cl2F3N2/c1-7-10(12(15,16)17)18-19(11(7)14)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3
InChIKeyYWEOJTTXXVZHRN-UHFFFAOYSA-N
MW309.12 g/mol
LogP4.57
Rot. Bonds2

About 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole

5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 66016106) has the molecular formula C12H9Cl2F3N2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole
PubChem CID66016106
Molecular FormulaC12H9Cl2F3N2
Molecular Weight309.12 g/mol
Exact Mass308.01
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C12H9Cl2F3N2/c1-7-10(12(15,16)17)18-19(11(7)14)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3
InChIKeyYWEOJTTXXVZHRN-UHFFFAOYSA-N
XLogP4.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-[(2-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 63272194
[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
CID 16769903
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587
5-chloro-3,4-dimethyl-1-[(2-methylphenyl)methyl]pyrazole
CID 66015296
1-[(2-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 63276747
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
[2-[[[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 47626641
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole
CID 66016107
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-1-[(2-chlorophenyl)methyl]-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 55237713
[1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 43333641

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole (CID 66016106) is 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole is Cc1c(C(F)(F)F)nn(Cc2ccccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is YWEOJTTXXVZHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2/c1-7-10(12(15,16)17)18-19(11(7)14)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole?
5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 309.12 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66016106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).