4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine

C11H10BrF2N3 — CID 116826036

IUPAC4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c(-c2cc(F)ccc2F)c1Br
InChIInChI=1S/C11H10BrF2N3/c1-17(2)11-9(12)10(15-16-11)7-5-6(13)3-4-8(7)14/h3-5H,1-2H3,(H,15,16)
InChIKeyFLIVYZCBVBMDAI-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.18
Rot. Bonds2

About 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine

4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine (PubChem CID 116826036) has the molecular formula C11H10BrF2N3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine
PubChem CID116826036
Molecular FormulaC11H10BrF2N3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c(-c2cc(F)ccc2F)c1Br
InChIInChI=1S/C11H10BrF2N3/c1-17(2)11-9(12)10(15-16-11)7-5-6(13)3-4-8(7)14/h3-5H,1-2H3,(H,15,16)
InChIKeyFLIVYZCBVBMDAI-UHFFFAOYSA-N
XLogP3.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine (CID 116826036) is 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine is CN(C)c1n[nH]c(-c2cc(F)ccc2F)c1Br.
What is the InChIKey of 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The InChIKey is FLIVYZCBVBMDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3/c1-17(2)11-9(12)10(15-16-11)7-5-6(13)3-4-8(7)14/h3-5H,1-2H3,(H,15,16).
What are the key properties of 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine has a molecular weight of 302.12 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,5-difluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116826036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).