3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

C13H23N3O — CID 43662487

IUPAC3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOC2CCCCC2)[nH]n1
InChIInChI=1S/C13H23N3O/c1-2-5-13(6-3-1)17-10-4-8-14-11-12-7-9-15-16-12/h7,9,13-14H,1-6,8,10-11H2,(H,15,16)
InChIKeyAQJFUTLPKQAVRW-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.24
Rot. Bonds7

About 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (PubChem CID 43662487) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
PubChem CID43662487
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOC2CCCCC2)[nH]n1
InChIInChI=1S/C13H23N3O/c1-2-5-13(6-3-1)17-10-4-8-14-11-12-7-9-15-16-12/h7,9,13-14H,1-6,8,10-11H2,(H,15,16)
InChIKeyAQJFUTLPKQAVRW-UHFFFAOYSA-N
XLogP2.24
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (CID 43662487) is 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is c1cc(CNCCCOC2CCCCC2)[nH]n1.
What is the InChIKey of 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The InChIKey is AQJFUTLPKQAVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-5-13(6-3-1)17-10-4-8-14-11-12-7-9-15-16-12/h7,9,13-14H,1-6,8,10-11H2,(H,15,16).
What are the key properties of 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 43662487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).