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

C14H10BrClFN3S — CID 107962720

IUPAC3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2csc(Br)c2)c(-c2ccc(F)cc2Cl)c1N
InChIInChI=1S/C14H10BrClFN3S/c1-20-14(18)12(9-3-2-8(17)5-10(9)16)13(19-20)7-4-11(15)21-6-7/h2-6H,18H2,1H3
InChIKeyBSJGHDHSOBRQOK-UHFFFAOYSA-N
MW386.68 g/mol
LogP4.95
Rot. Bonds2

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

3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 107962720) has the molecular formula C14H10BrClFN3S and a molecular weight of 386.68 g/mol. Its IUPAC name is 3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID107962720
Molecular FormulaC14H10BrClFN3S
Molecular Weight386.68 g/mol
Exact Mass384.95
IUPAC Name3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2csc(Br)c2)c(-c2ccc(F)cc2Cl)c1N
InChIInChI=1S/C14H10BrClFN3S/c1-20-14(18)12(9-3-2-8(17)5-10(9)16)13(19-20)7-4-11(15)21-6-7/h2-6H,18H2,1H3
InChIKeyBSJGHDHSOBRQOK-UHFFFAOYSA-N
XLogP4.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921984
3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 80644808
3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine
CID 107962627
4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
CID 64560671
4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 55143798
4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine
CID 66880474
3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 106687623
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
3-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336483
4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine
CID 64561055
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
CID 82789468

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine (CID 107962720) is 3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2csc(Br)c2)c(-c2ccc(F)cc2Cl)c1N.
What is the InChIKey of 3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is BSJGHDHSOBRQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3S/c1-20-14(18)12(9-3-2-8(17)5-10(9)16)13(19-20)7-4-11(15)21-6-7/h2-6H,18H2,1H3.
What are the key properties of 3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 386.68 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 107962720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).