2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine

C10H18FN3 — CID 103132884

IUPAC2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine
SMILESCn1ccc(C(F)(CN)C(C)(C)C)n1
InChIInChI=1S/C10H18FN3/c1-9(2,3)10(11,7-12)8-5-6-14(4)13-8/h5-6H,7,12H2,1-4H3
InChIKeyQHOGGTWJXKWFQP-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.59
Rot. Bonds2

About 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine (PubChem CID 103132884) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine
PubChem CID103132884
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine
SMILESCn1ccc(C(F)(CN)C(C)(C)C)n1
InChIInChI=1S/C10H18FN3/c1-9(2,3)10(11,7-12)8-5-6-14(4)13-8/h5-6H,7,12H2,1-4H3
InChIKeyQHOGGTWJXKWFQP-UHFFFAOYSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130270
2-fluoro-3,3-dimethyl-2-(2-methylpyrazol-3-yl)butan-1-amine
CID 112566609
2-(1-methylpyrazol-3-yl)-2-nitropropan-1-ol
CID 118318131
3-(4-chloro-2-methylpentan-2-yl)-1-methylpyrazole
CID 103131988
2-hydroxy-2-(1-methylpyrazol-3-yl)propanal
CID 103130216
2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine
CID 82865398
3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid
CID 118871823
1-cyclopropyl-2-(1-methylpyrazol-3-yl)propan-2-ol
CID 103130333
2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114667850
2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol
CID 130529005
2-ethyl-2-methyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103568533
N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 19621199

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine (CID 103132884) is 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine is Cn1ccc(C(F)(CN)C(C)(C)C)n1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is QHOGGTWJXKWFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-9(2,3)10(11,7-12)8-5-6-14(4)13-8/h5-6H,7,12H2,1-4H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 103132884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).