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

C14H10ClF2N3O — CID 106687623

IUPAC3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccoc2Cl)c(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C14H10ClF2N3O/c1-20-14(18)11(8-3-2-7(16)6-10(8)17)12(19-20)9-4-5-21-13(9)15/h2-6H,18H2,1H3
InChIKeyLAOYSLTYCJLWHN-UHFFFAOYSA-N
MW309.70 g/mol
LogP3.86
Rot. Bonds2

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

3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 106687623) has the molecular formula C14H10ClF2N3O and a molecular weight of 309.70 g/mol. Its IUPAC name is 3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
PubChem CID106687623
Molecular FormulaC14H10ClF2N3O
Molecular Weight309.70 g/mol
Exact Mass309.05
IUPAC Name3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccoc2Cl)c(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C14H10ClF2N3O/c1-20-14(18)11(8-3-2-7(16)6-10(8)17)12(19-20)9-4-5-21-13(9)15/h2-6H,18H2,1H3
InChIKeyLAOYSLTYCJLWHN-UHFFFAOYSA-N
XLogP3.86
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687586
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548
3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 80644808
4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine
CID 64561055
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 106687607
4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
CID 64560671
4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921984
3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 106854564
3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
CID 106854540
5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 22310003
3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 107962720
4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119587

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine (CID 106687623) is 3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccoc2Cl)c(-c2ccc(F)cc2F)c1N.
What is the InChIKey of 3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is LAOYSLTYCJLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3O/c1-20-14(18)11(8-3-2-7(16)6-10(8)17)12(19-20)9-4-5-21-13(9)15/h2-6H,18H2,1H3.
What are the key properties of 3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 309.70 g/mol, XLogP of 3.86, 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-(2,4-difluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 106687623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).