N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine

C15H27N3 — CID 114192839

IUPACN-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(CCC2CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-13(2)16-12-15-9-11-18(17-15)10-8-14-6-4-3-5-7-14/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyGFSFIRFXTRPUDN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.35
Rot. Bonds6

About N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine

N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine (PubChem CID 114192839) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine
PubChem CID114192839
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(CCC2CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-13(2)16-12-15-9-11-18(17-15)10-8-14-6-4-3-5-7-14/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyGFSFIRFXTRPUDN-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 165470187
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 104771756
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
CID 62423750
N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62289250
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 78921262
N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 83168369
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine
CID 130479120
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine (CID 114192839) is N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine is CC(C)NCc1ccn(CCC2CCCCC2)n1.
What is the InChIKey of N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine?
The InChIKey is GFSFIRFXTRPUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)16-12-15-9-11-18(17-15)10-8-14-6-4-3-5-7-14/h9,11,13-14,16H,3-8,10,12H2,1-2H3.
What are the key properties of N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine?
N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114192839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).