3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine

C10H16FN3 — CID 112567552

IUPAC3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine
SMILESCn1nccc1C1(F)CCCC(N)C1
InChIInChI=1S/C10H16FN3/c1-14-9(4-6-13-14)10(11)5-2-3-8(12)7-10/h4,6,8H,2-3,5,7,12H2,1H3
InChIKeyIGPNWXKTBHQZDE-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.49
Rot. Bonds1

About 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine

3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine (PubChem CID 112567552) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine
PubChem CID112567552
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine
SMILESCn1nccc1C1(F)CCCC(N)C1
InChIInChI=1S/C10H16FN3/c1-14-9(4-6-13-14)10(11)5-2-3-8(12)7-10/h4,6,8H,2-3,5,7,12H2,1H3
InChIKeyIGPNWXKTBHQZDE-UHFFFAOYSA-N
XLogP1.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine (CID 112567552) is 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine is Cn1nccc1C1(F)CCCC(N)C1.
What is the InChIKey of 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine?
The InChIKey is IGPNWXKTBHQZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-14-9(4-6-13-14)10(11)5-2-3-8(12)7-10/h4,6,8H,2-3,5,7,12H2,1H3.
What are the key properties of 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine?
3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine has a molecular weight of 197.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 112567552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).