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

C14H10BrF2N3S — CID 61496705

IUPAC3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)c(-c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C14H10BrF2N3S/c1-20-14(18)12(7-4-8(16)6-9(17)5-7)13(19-20)10-2-3-11(15)21-10/h2-6H,18H2,1H3
InChIKeyCSPYIDBEFXEIPC-UHFFFAOYSA-N
MW370.22 g/mol
LogP4.44
Rot. Bonds2

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

3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 61496705) has the molecular formula C14H10BrF2N3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
PubChem CID61496705
Molecular FormulaC14H10BrF2N3S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)c(-c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C14H10BrF2N3S/c1-20-14(18)12(7-4-8(16)6-9(17)5-7)13(19-20)10-2-3-11(15)21-10/h2-6H,18H2,1H3
InChIKeyCSPYIDBEFXEIPC-UHFFFAOYSA-N
XLogP4.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine (CID 61496705) is 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Br)s2)c(-c2cc(F)cc(F)c2)c1N.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is CSPYIDBEFXEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3S/c1-20-14(18)12(7-4-8(16)6-9(17)5-7)13(19-20)10-2-3-11(15)21-10/h2-6H,18H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine?
3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 370.22 g/mol, XLogP of 4.44, 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-(3,5-difluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 61496705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).