1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole

C12H12ClFN2 — CID 102620265

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H12ClFN2/c1-8-5-9(2)16(15-8)7-10-6-11(14)3-4-12(10)13/h3-6H,7H2,1-2H3
InChIKeyKJPLQNZXBVKHIP-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.34
Rot. Bonds2

About 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole

1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole (PubChem CID 102620265) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
PubChem CID102620265
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H12ClFN2/c1-8-5-9(2)16(15-8)7-10-6-11(14)3-4-12(10)13/h3-6H,7H2,1-2H3
InChIKeyKJPLQNZXBVKHIP-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-fluorophenyl]boronic acid
CID 54970732
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115574536
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
CID 51000352
[1-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 102619772
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557572
3-[(2-chloro-5-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102619555
5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62891537
[5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62892904
[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 102620083

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole (CID 102620265) is 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2cc(F)ccc2Cl)n1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole?
The InChIKey is KJPLQNZXBVKHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c1-8-5-9(2)16(15-8)7-10-6-11(14)3-4-12(10)13/h3-6H,7H2,1-2H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole?
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole has a molecular weight of 238.69 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 102620265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).