3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine

C14H11ClFN3O — CID 106687586

IUPAC3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccoc2Cl)c(-c2ccccc2F)c1N
InChIInChI=1S/C14H11ClFN3O/c1-19-14(17)11(8-4-2-3-5-10(8)16)12(18-19)9-6-7-20-13(9)15/h2-7H,17H2,1H3
InChIKeyODCZNQCTCRWSNU-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.72
Rot. Bonds2

About 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine

3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 106687586) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID106687586
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccoc2Cl)c(-c2ccccc2F)c1N
InChIInChI=1S/C14H11ClFN3O/c1-19-14(17)11(8-4-2-3-5-10(8)16)12(18-19)9-6-7-20-13(9)15/h2-7H,17H2,1H3
InChIKeyODCZNQCTCRWSNU-UHFFFAOYSA-N
XLogP3.72
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine (CID 106687586) is 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccoc2Cl)c(-c2ccccc2F)c1N.
What is the InChIKey of 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is ODCZNQCTCRWSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c1-19-14(17)11(8-4-2-3-5-10(8)16)12(18-19)9-6-7-20-13(9)15/h2-7H,17H2,1H3.
What are the key properties of 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine?
3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 291.71 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 106687586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).