1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine

C8H12BrF2N3 — CID 130899126

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCNC(c1c(Br)cnn1C)C(C)(F)F
InChIInChI=1S/C8H12BrF2N3/c1-8(10,11)7(12-2)6-5(9)4-13-14(6)3/h4,7,12H,1-3H3
InChIKeyVIAAOFMJYJDOSD-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.10
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 130899126) has the molecular formula C8H12BrF2N3 and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
PubChem CID130899126
Molecular FormulaC8H12BrF2N3
Molecular Weight268.11 g/mol
Exact Mass267.02
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCNC(c1c(Br)cnn1C)C(C)(F)F
InChIInChI=1S/C8H12BrF2N3/c1-8(10,11)7(12-2)6-5(9)4-13-14(6)3/h4,7,12H,1-3H3
InChIKeyVIAAOFMJYJDOSD-UHFFFAOYSA-N
XLogP2.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 114653131
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114661565
1-(4-bromo-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 114657995
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105054025
1-(4-bromo-1-methylpyrazol-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029500
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)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656521

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine (CID 130899126) is 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine is CNC(c1c(Br)cnn1C)C(C)(F)F.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine?
The InChIKey is VIAAOFMJYJDOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF2N3/c1-8(10,11)7(12-2)6-5(9)4-13-14(6)3/h4,7,12H,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 268.11 g/mol, XLogP of 2.10, 3 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-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 130899126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).