3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine

C14H10BrClFN3O — CID 106854540

IUPAC3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccoc2Br)c(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C14H10BrClFN3O/c1-20-14(18)11(10-8(16)3-2-4-9(10)17)12(19-20)7-5-6-21-13(7)15/h2-6H,18H2,1H3
InChIKeyMLMQCEBVPYWUCE-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.48
Rot. Bonds2

About 3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine

3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 106854540) has the molecular formula C14H10BrClFN3O and a molecular weight of 370.61 g/mol. Its IUPAC name is 3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID106854540
Molecular FormulaC14H10BrClFN3O
Molecular Weight370.61 g/mol
Exact Mass368.97
IUPAC Name3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccoc2Br)c(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C14H10BrClFN3O/c1-20-14(18)11(10-8(16)3-2-4-9(10)17)12(19-20)7-5-6-21-13(7)15/h2-6H,18H2,1H3
InChIKeyMLMQCEBVPYWUCE-UHFFFAOYSA-N
XLogP4.48
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.48
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-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 106854564
4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine
CID 62277454
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548
3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 106687623
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 106687607
4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821040
4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336413
4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
CID 82789468
3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 79977683
3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335681
4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 61262748

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine (CID 106854540) is 3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccoc2Br)c(-c2c(F)cccc2Cl)c1N.
What is the InChIKey of 3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is MLMQCEBVPYWUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3O/c1-20-14(18)11(10-8(16)3-2-4-9(10)17)12(19-20)7-5-6-21-13(7)15/h2-6H,18H2,1H3.
What are the key properties of 3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine?
3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 370.61 g/mol, XLogP of 4.48, 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-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 106854540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).