1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine

C13H23N3O — CID 114248067

IUPAC1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOCC2CCCCCC2)n1
InChIInChI=1S/C13H23N3O/c14-13-7-8-16(15-13)9-10-17-11-12-5-3-1-2-4-6-12/h7-8,12H,1-6,9-11H2,(H2,14,15)
InChIKeyMXPYFOLWCATBHL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine

1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine (PubChem CID 114248067) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
PubChem CID114248067
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOCC2CCCCCC2)n1
InChIInChI=1S/C13H23N3O/c14-13-7-8-16(15-13)9-10-17-11-12-5-3-1-2-4-6-12/h7-8,12H,1-6,9-11H2,(H2,14,15)
InChIKeyMXPYFOLWCATBHL-UHFFFAOYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.45
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-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine
CID 63316340
1-[2-(2-cyclopropylethoxy)ethyl]pyrazol-3-amine
CID 106200002
1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63315810
1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine
CID 63316214
1-[2-(3-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63316335
1-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrazol-3-amine
CID 64569426
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 63316247
1-(3-heptoxypropyl)pyrazol-3-amine
CID 63311023
1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
CID 55205458
1-[2-(2-methylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318333
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine
CID 102956385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine (CID 114248067) is 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine is Nc1ccn(CCOCC2CCCCCC2)n1.
What is the InChIKey of 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine?
The InChIKey is MXPYFOLWCATBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c14-13-7-8-16(15-13)9-10-17-11-12-5-3-1-2-4-6-12/h7-8,12H,1-6,9-11H2,(H2,14,15).
What are the key properties of 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine?
1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine has a molecular weight of 237.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 114248067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).