[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine

C9H16FN3 — CID 84660191

IUPAC[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine
SMILESCC(C)(F)CCn1nccc1CN
InChIInChI=1S/C9H16FN3/c1-9(2,10)4-6-13-8(7-11)3-5-12-13/h3,5H,4,6-7,11H2,1-2H3
InChIKeyPACONRDWXODEQK-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.48
Rot. Bonds4

About [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine

[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine (PubChem CID 84660191) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine
PubChem CID84660191
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine
SMILESCC(C)(F)CCn1nccc1CN
InChIInChI=1S/C9H16FN3/c1-9(2,10)4-6-13-8(7-11)3-5-12-13/h3,5H,4,6-7,11H2,1-2H3
InChIKeyPACONRDWXODEQK-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine
CID 84668987
[2-(2-propoxyethyl)pyrazol-3-yl]methanamine
CID 106458252
[2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine
CID 106731927
5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole
CID 122170872
[2-[3-(2-methoxyethoxy)propyl]pyrazol-3-yl]methanamine
CID 103413473
2-[2-(3-fluoropropyl)pyrazol-3-yl]ethanamine
CID 84654115
2-fluoro-3,3-dimethyl-2-(2-methylpyrazol-3-yl)butan-1-amine
CID 112566609
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 103037479
4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990
2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 170535547
1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol
CID 64818780

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine?
The IUPAC name of [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine (CID 84660191) is [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine is CC(C)(F)CCn1nccc1CN.
What is the InChIKey of [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine?
The InChIKey is PACONRDWXODEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-9(2,10)4-6-13-8(7-11)3-5-12-13/h3,5H,4,6-7,11H2,1-2H3.
What are the key properties of [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine?
[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine has a molecular weight of 185.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 84660191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).