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

C14H11BrFN3S — CID 43336603

IUPAC3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)c(-c2cccc(F)c2)c1N
InChIInChI=1S/C14H11BrFN3S/c1-19-14(17)12(8-3-2-4-9(16)7-8)13(18-19)10-5-6-11(15)20-10/h2-7H,17H2,1H3
InChIKeyWDSGQXVNRILWFO-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.30
Rot. Bonds2

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

3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 43336603) has the molecular formula C14H11BrFN3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID43336603
Molecular FormulaC14H11BrFN3S
Molecular Weight352.23 g/mol
Exact Mass350.98
IUPAC Name3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)c(-c2cccc(F)c2)c1N
InChIInChI=1S/C14H11BrFN3S/c1-19-14(17)12(8-3-2-4-9(16)7-8)13(18-19)10-5-6-11(15)20-10/h2-7H,17H2,1H3
InChIKeyWDSGQXVNRILWFO-UHFFFAOYSA-N
XLogP4.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromothiophen-2-yl)-1-methyl-1H-pyrazol-5-amine
CID 43158864
4-Bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazole
CID 59281344
4-Bromo-5-(4-fluorophenyl)-3-methyl-1-(thiophen-2-ylmethyl)pyrazole
CID 59281417
5-(5-Bromothiophen-2-yl)-1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 87532228
3-(5-Bromothiophen-2-yl)-1-[(2,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyrazole
CID 87532636
3-(3-Fluorophenyl)-4-methyl-1-[2-(4-methyl-3-prop-1-en-2-ylthiophen-2-yl)iminopropyl]pyrazol-5-amine
CID 173805795
1-[2-(3-Buta-2,3-dien-2-yl-4-methylthiophen-2-yl)iminopropyl]-3-(3-fluorophenyl)-4-methylpyrazol-5-amine
CID 173848245
3-(5-bromothiophen-2-yl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3992670
3-(5-bromothiophen-2-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4558231
3-(5-bromothiophen-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4597680
3-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4612602
3-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4998508

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine (CID 43336603) is 3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Br)s2)c(-c2cccc(F)c2)c1N.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is WDSGQXVNRILWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3S/c1-19-14(17)12(8-3-2-4-9(16)7-8)13(18-19)10-5-6-11(15)20-10/h2-7H,17H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 352.23 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43336603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).