1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole

C11H10ClFN2 — CID 53443819

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
SMILESCc1ccnn1Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H10ClFN2/c1-8-4-5-14-15(8)7-9-2-3-10(13)6-11(9)12/h2-6H,7H2,1H3
InChIKeyAHFZHOGFLCMULS-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.03
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole

1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole (PubChem CID 53443819) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
PubChem CID53443819
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
SMILESCc1ccnn1Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H10ClFN2/c1-8-4-5-14-15(8)7-9-2-3-10(13)6-11(9)12/h2-6H,7H2,1H3
InChIKeyAHFZHOGFLCMULS-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
4-fluoro-2-[(5-methylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 64763415
3-chloro-N'-hydroxy-4-[(5-methylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 102667560
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569956
1-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole
CID 19586407
1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole
CID 79785038
1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
CID 104794972
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindole
CID 63810962
[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
CID 64766128
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)-4-methylpyrazole
CID 17025548
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19345682

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole (CID 53443819) is 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole is Cc1ccnn1Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole?
The InChIKey is AHFZHOGFLCMULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-8-4-5-14-15(8)7-9-2-3-10(13)6-11(9)12/h2-6H,7H2,1H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole?
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole has a molecular weight of 224.67 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole is sourced from PubChem (CID 53443819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).