3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile

C15H13BrF2N4 — CID 129248437

IUPAC3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile
SMILESN#Cc1c(N)nn(C2CCCC2)c1-c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H13BrF2N4/c16-8-5-11(17)13(12(18)6-8)14-10(7-19)15(20)21-22(14)9-3-1-2-4-9/h5-6,9H,1-4H2,(H2,20,21)
InChIKeyAYLTWJWUVHHGFC-UHFFFAOYSA-N
MW367.20 g/mol
LogP4.16
Rot. Bonds2

About 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile

3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile (PubChem CID 129248437) has the molecular formula C15H13BrF2N4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile
PubChem CID129248437
Molecular FormulaC15H13BrF2N4
Molecular Weight367.20 g/mol
Exact Mass366.03
IUPAC Name3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile
SMILESN#Cc1c(N)nn(C2CCCC2)c1-c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H13BrF2N4/c16-8-5-11(17)13(12(18)6-8)14-10(7-19)15(20)21-22(14)9-3-1-2-4-9/h5-6,9H,1-4H2,(H2,20,21)
InChIKeyAYLTWJWUVHHGFC-UHFFFAOYSA-N
XLogP4.16
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile (CID 129248437) is 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile is N#Cc1c(N)nn(C2CCCC2)c1-c1c(F)cc(Br)cc1F.
What is the InChIKey of 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile?
The InChIKey is AYLTWJWUVHHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N4/c16-8-5-11(17)13(12(18)6-8)14-10(7-19)15(20)21-22(14)9-3-1-2-4-9/h5-6,9H,1-4H2,(H2,20,21).
What are the key properties of 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile?
3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile has a molecular weight of 367.20 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-bromo-2,6-difluorophenyl)-1-cyclopentylpyrazole-4-carbonitrile is sourced from PubChem (CID 129248437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).