5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole

C7H6ClFN4 — CID 134329154

IUPAC5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole
SMILESCn1cc(-c2n[nH]c(Cl)c2F)cn1
InChIInChI=1S/C7H6ClFN4/c1-13-3-4(2-10-13)6-5(9)7(8)12-11-6/h2-3H,1H3,(H,11,12)
InChIKeyIBIYADQSGSKWCH-UHFFFAOYSA-N
MW200.60 g/mol
LogP1.60
Rot. Bonds1

About 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole

5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole (PubChem CID 134329154) has the molecular formula C7H6ClFN4 and a molecular weight of 200.60 g/mol. Its IUPAC name is 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole
PubChem CID134329154
Molecular FormulaC7H6ClFN4
Molecular Weight200.60 g/mol
Exact Mass200.03
IUPAC Name5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole
SMILESCn1cc(-c2n[nH]c(Cl)c2F)cn1
InChIInChI=1S/C7H6ClFN4/c1-13-3-4(2-10-13)6-5(9)7(8)12-11-6/h2-3H,1H3,(H,11,12)
InChIKeyIBIYADQSGSKWCH-UHFFFAOYSA-N
XLogP1.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole?
The IUPAC name of 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole (CID 134329154) is 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole.
What is the SMILES notation for 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole?
The canonical SMILES for 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole is Cn1cc(-c2n[nH]c(Cl)c2F)cn1.
What is the InChIKey of 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole?
The InChIKey is IBIYADQSGSKWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN4/c1-13-3-4(2-10-13)6-5(9)7(8)12-11-6/h2-3H,1H3,(H,11,12).
What are the key properties of 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole?
5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole has a molecular weight of 200.60 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole is sourced from PubChem (CID 134329154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).