2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine

C15H23N3O — CID 99617386

IUPAC2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
SMILESC1=C(CNc2ccnn2C2CCCCC2)COCC1
InChIInChI=1S/C15H23N3O/c1-2-6-14(7-3-1)18-15(8-9-17-18)16-11-13-5-4-10-19-12-13/h5,8-9,14,16H,1-4,6-7,10-12H2
InChIKeyYPQJWFRGTRPPAR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds4

About 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine

2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine (PubChem CID 99617386) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
PubChem CID99617386
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
SMILESC1=C(CNc2ccnn2C2CCCCC2)COCC1
InChIInChI=1S/C15H23N3O/c1-2-6-14(7-3-1)18-15(8-9-17-18)16-11-13-5-4-10-19-12-13/h5,8-9,14,16H,1-4,6-7,10-12H2
InChIKeyYPQJWFRGTRPPAR-UHFFFAOYSA-N
XLogP3.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine (CID 99617386) is 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine is C1=C(CNc2ccnn2C2CCCCC2)COCC1.
What is the InChIKey of 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
The InChIKey is YPQJWFRGTRPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-6-14(7-3-1)18-15(8-9-17-18)16-11-13-5-4-10-19-12-13/h5,8-9,14,16H,1-4,6-7,10-12H2.
What are the key properties of 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine has a molecular weight of 261.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 99617386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).