1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine

C7H10BrF2N3 — CID 130605081

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
SMILESCn1ncc(Br)c1C(N)C(C)(F)F
InChIInChI=1S/C7H10BrF2N3/c1-7(9,10)6(11)5-4(8)3-12-13(5)2/h3,6H,11H2,1-2H3
InChIKeyAKRQLTJFQSUFGM-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.84
Rot. Bonds2

About 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine (PubChem CID 130605081) has the molecular formula C7H10BrF2N3 and a molecular weight of 254.08 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
PubChem CID130605081
Molecular FormulaC7H10BrF2N3
Molecular Weight254.08 g/mol
Exact Mass253.00
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
SMILESCn1ncc(Br)c1C(N)C(C)(F)F
InChIInChI=1S/C7H10BrF2N3/c1-7(9,10)6(11)5-4(8)3-12-13(5)2/h3,6H,11H2,1-2H3
InChIKeyAKRQLTJFQSUFGM-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 130899126
1-(4-bromo-1-methylpyrazol-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656521
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114656691
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355
1-(4-bromo-1-methylpyrazol-5-yl)-2-chloro-2,2-difluoroethanol
CID 114645379
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216484
1-(4-bromo-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148168
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
1-(4-bromo-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 114657995
2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114667850
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine (CID 130605081) is 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine is Cn1ncc(Br)c1C(N)C(C)(F)F.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine?
The InChIKey is AKRQLTJFQSUFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF2N3/c1-7(9,10)6(11)5-4(8)3-12-13(5)2/h3,6H,11H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine has a molecular weight of 254.08 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 130605081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).