3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine

C13H21F2N3 — CID 103516696

IUPAC3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccn(C2CCCCC2)n1)C(F)F
InChIInChI=1S/C13H21F2N3/c1-16-12(13(14)15)9-10-7-8-18(17-10)11-5-3-2-4-6-11/h7-8,11-13,16H,2-6,9H2,1H3
InChIKeyXQAXMEDPFINQKD-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.78
Rot. Bonds5

About 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine

3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 103516696) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID103516696
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccn(C2CCCCC2)n1)C(F)F
InChIInChI=1S/C13H21F2N3/c1-16-12(13(14)15)9-10-7-8-18(17-10)11-5-3-2-4-6-11/h7-8,11-13,16H,2-6,9H2,1H3
InChIKeyXQAXMEDPFINQKD-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720039
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
CID 104993857
1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
CID 64778824
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 64785855
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107189365
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346312
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine (CID 103516696) is 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine is CNC(Cc1ccn(C2CCCCC2)n1)C(F)F.
What is the InChIKey of 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is XQAXMEDPFINQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-16-12(13(14)15)9-10-7-8-18(17-10)11-5-3-2-4-6-11/h7-8,11-13,16H,2-6,9H2,1H3.
What are the key properties of 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine?
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 257.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 103516696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).