3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine

C16H29N3O — CID 64785741

IUPAC3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3O/c1-14(2)17-10-6-12-20-13-15-9-11-19(18-15)16-7-4-3-5-8-16/h9,11,14,16-17H,3-8,10,12-13H2,1-2H3
InChIKeyIIVPQFVUWWRPBK-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.29
Rot. Bonds8

About 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine

3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 64785741) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID64785741
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3O/c1-14(2)17-10-6-12-20-13-15-9-11-19(18-15)16-7-4-3-5-8-16/h9,11,14,16-17H,3-8,10,12-13H2,1-2H3
InChIKeyIIVPQFVUWWRPBK-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
CID 64785550
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
CID 122171879
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784196
3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
CID 64784969
1-[(1-cyclopentylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784388
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine
CID 64785182
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
CID 64784919

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine (CID 64785741) is 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine is CC(C)NCCCOCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is IIVPQFVUWWRPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-14(2)17-10-6-12-20-13-15-9-11-19(18-15)16-7-4-3-5-8-16/h9,11,14,16-17H,3-8,10,12-13H2,1-2H3.
What are the key properties of 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine?
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 64785741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).