3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine

C12H22FN3 — CID 107443711

IUPAC3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine
SMILESCC(C)C(CN)C(F)CCc1ccnn1C
InChIInChI=1S/C12H22FN3/c1-9(2)11(8-14)12(13)5-4-10-6-7-15-16(10)3/h6-7,9,11-12H,4-5,8,14H2,1-3H3
InChIKeyXIASSIHGVXDYDL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.92
Rot. Bonds6

About 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine

3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine (PubChem CID 107443711) has the molecular formula C12H22FN3 and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine
PubChem CID107443711
Molecular FormulaC12H22FN3
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Name3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine
SMILESCC(C)C(CN)C(F)CCc1ccnn1C
InChIInChI=1S/C12H22FN3/c1-9(2)11(8-14)12(13)5-4-10-6-7-15-16(10)3/h6-7,9,11-12H,4-5,8,14H2,1-3H3
InChIKeyXIASSIHGVXDYDL-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 107443168
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
5-(5-bromo-3-methylhexyl)-1-methylpyrazole
CID 103016082
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
2-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,2-diamine
CID 103015452
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine?
The IUPAC name of 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine (CID 107443711) is 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine.
What is the SMILES notation for 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine?
The canonical SMILES for 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine is CC(C)C(CN)C(F)CCc1ccnn1C.
What is the InChIKey of 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine?
The InChIKey is XIASSIHGVXDYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3/c1-9(2)11(8-14)12(13)5-4-10-6-7-15-16(10)3/h6-7,9,11-12H,4-5,8,14H2,1-3H3.
What are the key properties of 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine?
3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine is sourced from PubChem (CID 107443711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).