5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine

C9H16FN3 — CID 165492529

IUPAC5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1F)C(C)(C)C
InChIInChI=1S/C9H16FN3/c1-5(9(2,3)4)7-6(10)8(11)13-12-7/h5H,1-4H3,(H3,11,12,13)
InChIKeyYUZFMYPCPRKUJS-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.28
Rot. Bonds1

About 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine

5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine (PubChem CID 165492529) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine
PubChem CID165492529
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1F)C(C)(C)C
InChIInChI=1S/C9H16FN3/c1-5(9(2,3)4)7-6(10)8(11)13-12-7/h5H,1-4H3,(H3,11,12,13)
InChIKeyYUZFMYPCPRKUJS-UHFFFAOYSA-N
XLogP2.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine (CID 165492529) is 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine is CC(c1[nH]nc(N)c1F)C(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine?
The InChIKey is YUZFMYPCPRKUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-5(9(2,3)4)7-6(10)8(11)13-12-7/h5H,1-4H3,(H3,11,12,13).
What are the key properties of 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine?
5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine has a molecular weight of 185.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine is sourced from PubChem (CID 165492529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).