(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine

C16H29N3 — CID 81385024

IUPAC(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
SMILESCCC(C)n1ccc(CN[C@@H](C)C2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-4-13(2)19-11-10-16(18-19)12-17-14(3)15-8-6-5-7-9-15/h10-11,13-15,17H,4-9,12H2,1-3H3/t13?,14-/m0/s1
InChIKeyIKHSAJPUCRJGCF-KZUDCZAMSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds6

About (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine

(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine (PubChem CID 81385024) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
PubChem CID81385024
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
SMILESCCC(C)n1ccc(CN[C@@H](C)C2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-4-13(2)19-11-10-16(18-19)12-17-14(3)15-8-6-5-7-9-15/h10-11,13-15,17H,4-9,12H2,1-3H3/t13?,14-/m0/s1
InChIKeyIKHSAJPUCRJGCF-KZUDCZAMSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-chlorobutan-2-amine
CID 65026559
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 78921262
4-bromo-N-[(1-butan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 83188395
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107851970
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(chloromethyl)cyclohexan-1-amine
CID 112752753
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
[1-(1-butan-2-ylpyrazol-3-yl)-3-cyclopropylbutan-2-yl]hydrazine
CID 105312549
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 114121565
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine?
The IUPAC name of (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine (CID 81385024) is (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine is CCC(C)n1ccc(CN[C@@H](C)C2CCCCC2)n1.
What is the InChIKey of (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine?
The InChIKey is IKHSAJPUCRJGCF-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-13(2)19-11-10-16(18-19)12-17-14(3)15-8-6-5-7-9-15/h10-11,13-15,17H,4-9,12H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine?
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 81385024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).