4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine

C9H16FN3 — CID 165492417

IUPAC4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine
SMILESCCCCC(C)c1[nH]nc(N)c1F
InChIInChI=1S/C9H16FN3/c1-3-4-5-6(2)8-7(10)9(11)13-12-8/h6H,3-5H2,1-2H3,(H3,11,12,13)
InChIKeyFMHALEOJODZAFS-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.42
Rot. Bonds4

About 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine

4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine (PubChem CID 165492417) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine
PubChem CID165492417
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine
SMILESCCCCC(C)c1[nH]nc(N)c1F
InChIInChI=1S/C9H16FN3/c1-3-4-5-6(2)8-7(10)9(11)13-12-8/h6H,3-5H2,1-2H3,(H3,11,12,13)
InChIKeyFMHALEOJODZAFS-UHFFFAOYSA-N
XLogP2.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine
CID 165499002
5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine
CID 114246456
5-(3,3-dimethylbutan-2-yl)-4-fluoro-1H-pyrazol-3-amine
CID 165492529
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
5-pentyl-4-propyl-1H-pyrazol-3-amine
CID 79405601
3-hexan-2-yl-1H-indol-2-amine
CID 151629359
5-butyl-4-ethyl-1H-pyrazol-3-amine
CID 43670647
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 61337950
5-pentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70433505
3-hexan-2-yl-1,4-dimethylpyrazol-5-amine
CID 165492413
5-heptan-2-ylpyrimidine-2,4-diamine
CID 175944646
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine (CID 165492417) is 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine is CCCCC(C)c1[nH]nc(N)c1F.
What is the InChIKey of 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine?
The InChIKey is FMHALEOJODZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-3-4-5-6(2)8-7(10)9(11)13-12-8/h6H,3-5H2,1-2H3,(H3,11,12,13).
What are the key properties of 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine?
4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine has a molecular weight of 185.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 165492417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).