1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine

C12H21N3O — CID 64975019

IUPAC1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
SMILESCCONCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C12H21N3O/c1-2-16-13-10-11-8-9-15(14-11)12-6-4-3-5-7-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyWIYCHNXOLOPPOK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.43
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine

1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine (PubChem CID 64975019) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
PubChem CID64975019
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
SMILESCCONCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C12H21N3O/c1-2-16-13-10-11-8-9-15(14-11)12-6-4-3-5-7-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyWIYCHNXOLOPPOK-UHFFFAOYSA-N
XLogP2.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 64799126
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline
CID 19626044
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
1-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416497

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine (CID 64975019) is 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine is CCONCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine?
The InChIKey is WIYCHNXOLOPPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-16-13-10-11-8-9-15(14-11)12-6-4-3-5-7-12/h8-9,12-13H,2-7,10H2,1H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine?
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine is sourced from PubChem (CID 64975019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).