4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole

C13H10ClFN4 — CID 118864421

IUPAC4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole
SMILESCn1nccc1-n1cc(-c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C13H10ClFN4/c1-18-13(4-5-16-18)19-8-10(7-17-19)9-2-3-12(15)11(14)6-9/h2-8H,1H3
InChIKeyHRKHYYJXFPDNFI-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.07
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole

4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole (PubChem CID 118864421) has the molecular formula C13H10ClFN4 and a molecular weight of 276.70 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole
PubChem CID118864421
Molecular FormulaC13H10ClFN4
Molecular Weight276.70 g/mol
Exact Mass276.06
IUPAC Name4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole
SMILESCn1nccc1-n1cc(-c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C13H10ClFN4/c1-18-13(4-5-16-18)19-8-10(7-17-19)9-2-3-12(15)11(14)6-9/h2-8H,1H3
InChIKeyHRKHYYJXFPDNFI-UHFFFAOYSA-N
XLogP3.07
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole (CID 118864421) is 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole is Cn1nccc1-n1cc(-c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole?
The InChIKey is HRKHYYJXFPDNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4/c1-18-13(4-5-16-18)19-8-10(7-17-19)9-2-3-12(15)11(14)6-9/h2-8H,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole?
4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole has a molecular weight of 276.70 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)pyrazole is sourced from PubChem (CID 118864421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).