3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine

C16H29N3O — CID 64784969

IUPAC3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3O/c1-3-16(17,4-2)13-20-12-14-10-11-19(18-14)15-8-6-5-7-9-15/h10-11,15H,3-9,12-13,17H2,1-2H3
InChIKeyHLKMYTDFNJMFKE-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.42
Rot. Bonds7

About 3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine

3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine (PubChem CID 64784969) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
PubChem CID64784969
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3O/c1-3-16(17,4-2)13-20-12-14-10-11-19(18-14)15-8-6-5-7-9-15/h10-11,15H,3-9,12-13,17H2,1-2H3
InChIKeyHLKMYTDFNJMFKE-UHFFFAOYSA-N
XLogP3.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylbutan-2-amine
CID 64785357
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784196
1-[(1-cyclopentylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784388
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
CID 122171879
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
CID 64785550
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 64785741
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine?
The IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine (CID 64784969) is 3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine is CCC(N)(CC)COCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine?
The InChIKey is HLKMYTDFNJMFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-16(17,4-2)13-20-12-14-10-11-19(18-14)15-8-6-5-7-9-15/h10-11,15H,3-9,12-13,17H2,1-2H3.
What are the key properties of 3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine?
3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine has a molecular weight of 279.43 g/mol, XLogP of 3.42, 7 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)methoxymethyl]pentan-3-amine is sourced from PubChem (CID 64784969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).