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

C14H10BrF2N3O — CID 106854564

IUPAC3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccoc2Br)c(-c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C14H10BrF2N3O/c1-20-14(18)11(7-4-8(16)6-9(17)5-7)12(19-20)10-2-3-21-13(10)15/h2-6H,18H2,1H3
InChIKeySLQXVKLTLXYKKI-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.97
Rot. Bonds2

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

3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 106854564) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
PubChem CID106854564
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccoc2Br)c(-c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C14H10BrF2N3O/c1-20-14(18)11(7-4-8(16)6-9(17)5-7)12(19-20)10-2-3-21-13(10)15/h2-6H,18H2,1H3
InChIKeySLQXVKLTLXYKKI-UHFFFAOYSA-N
XLogP3.97
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
CID 106854540
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 106687607
4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552622
4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336413
3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 106687623
3-(2-chlorofuran-3-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687586
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
4-(4-fluorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821050
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine (CID 106854564) is 3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccoc2Br)c(-c2cc(F)cc(F)c2)c1N.
What is the InChIKey of 3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is SLQXVKLTLXYKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c1-20-14(18)11(7-4-8(16)6-9(17)5-7)12(19-20)10-2-3-21-13(10)15/h2-6H,18H2,1H3.
What are the key properties of 3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine?
3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 354.15 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 106854564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).