1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine

C15H27N3O — CID 64777634

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
SMILESCCCOCC(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3O/c1-2-10-19-12-13(16)11-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-9,13,15H,2-7,10-12,16H2,1H3
InChIKeyFPJWYDPMRZCWAW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.68
Rot. Bonds7

About 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine

1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine (PubChem CID 64777634) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
PubChem CID64777634
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
SMILESCCCOCC(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3O/c1-2-10-19-12-13(16)11-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-9,13,15H,2-7,10-12,16H2,1H3
InChIKeyFPJWYDPMRZCWAW-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.68
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

1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
CID 64784919
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
CID 64784969
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine (CID 64777634) is 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine is CCCOCC(N)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine?
The InChIKey is FPJWYDPMRZCWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-10-19-12-13(16)11-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-9,13,15H,2-7,10-12,16H2,1H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine?
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.68, 7 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)-3-propoxypropan-2-amine is sourced from PubChem (CID 64777634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).