2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine

C10H17BrFN3 — CID 107443558

IUPAC2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)c1c(Br)cnn1C
InChIInChI=1S/C10H17BrFN3/c1-6(2)7(4-13)9(12)10-8(11)5-14-15(10)3/h5-7,9H,4,13H2,1-3H3
InChIKeyGYCYNEOPMJEPEE-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.42
Rot. Bonds4

About 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine

2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine (PubChem CID 107443558) has the molecular formula C10H17BrFN3 and a molecular weight of 278.17 g/mol. Its IUPAC name is 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine
PubChem CID107443558
Molecular FormulaC10H17BrFN3
Molecular Weight278.17 g/mol
Exact Mass277.06
IUPAC Name2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)c1c(Br)cnn1C
InChIInChI=1S/C10H17BrFN3/c1-6(2)7(4-13)9(12)10-8(11)5-14-15(10)3/h5-7,9H,4,13H2,1-3H3
InChIKeyGYCYNEOPMJEPEE-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine
CID 114667634
1-(4-bromo-1-methylpyrazol-5-yl)-2-chloro-2,2-difluoroethanol
CID 114645379
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
CID 83895039
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
3-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentanal
CID 83844350
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
CID 105189862
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine (CID 107443558) is 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)c1c(Br)cnn1C.
What is the InChIKey of 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine?
The InChIKey is GYCYNEOPMJEPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrFN3/c1-6(2)7(4-13)9(12)10-8(11)5-14-15(10)3/h5-7,9H,4,13H2,1-3H3.
What are the key properties of 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine?
2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine has a molecular weight of 278.17 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).