1-(4-chloro-3-fluorophenyl)-4-methylpyrazole

C10H8ClFN2 — CID 79149054

IUPAC1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C10H8ClFN2/c1-7-5-13-14(6-7)8-2-3-9(11)10(12)4-8/h2-6H,1H3
InChIKeyNTMTXMDGRJJEDL-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.97
Rot. Bonds1

About 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole

1-(4-chloro-3-fluorophenyl)-4-methylpyrazole (PubChem CID 79149054) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
PubChem CID79149054
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C10H8ClFN2/c1-7-5-13-14(6-7)8-2-3-9(11)10(12)4-8/h2-6H,1H3
InChIKeyNTMTXMDGRJJEDL-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole (CID 79149054) is 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole is Cc1cnn(-c2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole?
The InChIKey is NTMTXMDGRJJEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c1-7-5-13-14(6-7)8-2-3-9(11)10(12)4-8/h2-6H,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole?
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole has a molecular weight of 210.64 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-methylpyrazole is sourced from PubChem (CID 79149054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).