3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine

C9H17FN4 — CID 164654726

IUPAC3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NCCC(C)(C)F)n1
InChIInChI=1S/C9H17FN4/c1-9(2,10)4-5-12-8-7(11)6-14(3)13-8/h6H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyJIWIFBUSHGBDIC-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.55
Rot. Bonds4

About 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine

3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine (PubChem CID 164654726) has the molecular formula C9H17FN4 and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine
PubChem CID164654726
Molecular FormulaC9H17FN4
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC Name3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NCCC(C)(C)F)n1
InChIInChI=1S/C9H17FN4/c1-9(2,10)4-5-12-8-7(11)6-14(3)13-8/h6H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyJIWIFBUSHGBDIC-UHFFFAOYSA-N
XLogP1.55
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-butyl-1-methylpyrazole-3,4-diamine
CID 90481031
3-N-tert-butyl-1-methylpyrazole-3,4-diamine
CID 103077897
3-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3,4-diamine
CID 103078310
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
CID 106234066
3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078066
1-methyl-3-N-(3-methylsulfinylbutyl)pyrazole-3,4-diamine
CID 103078897
1-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078356
3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine
CID 103078919
1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078320
3-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
CID 103078653
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103077847

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine (CID 164654726) is 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine is Cn1cc(N)c(NCCC(C)(C)F)n1.
What is the InChIKey of 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is JIWIFBUSHGBDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN4/c1-9(2,10)4-5-12-8-7(11)6-14(3)13-8/h6H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine?
3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine has a molecular weight of 200.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 164654726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).