4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine

C16H29N3O — CID 64785182

IUPAC4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine
SMILESCCNC(CCc1ccn(C2CCCCC2)n1)COC
InChIInChI=1S/C16H29N3O/c1-3-17-15(13-20-2)10-9-14-11-12-19(18-14)16-7-5-4-6-8-16/h11-12,15-17H,3-10,13H2,1-2H3
InChIKeyGUEILHIOXVHVOY-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.95
Rot. Bonds8

About 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine

4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine (PubChem CID 64785182) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine
PubChem CID64785182
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine
SMILESCCNC(CCc1ccn(C2CCCCC2)n1)COC
InChIInChI=1S/C16H29N3O/c1-3-17-15(13-20-2)10-9-14-11-12-19(18-14)16-7-5-4-6-8-16/h11-12,15-17H,3-10,13H2,1-2H3
InChIKeyGUEILHIOXVHVOY-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-methoxybutyl)-1-cyclopentylpyrazole
CID 64780038
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
3-(3-chloro-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64779835
N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
CID 64785550

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine?
The IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine (CID 64785182) is 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine.
What is the SMILES notation for 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine?
The canonical SMILES for 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine is CCNC(CCc1ccn(C2CCCCC2)n1)COC.
What is the InChIKey of 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine?
The InChIKey is GUEILHIOXVHVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-17-15(13-20-2)10-9-14-11-12-19(18-14)16-7-5-4-6-8-16/h11-12,15-17H,3-10,13H2,1-2H3.
What are the key properties of 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine?
4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine is sourced from PubChem (CID 64785182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).