3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine

C12H21N3O — CID 60972295

IUPAC3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
SMILESCC(NCCCOCC1CC1)c1ccn[nH]1
InChIInChI=1S/C12H21N3O/c1-10(12-5-7-14-15-12)13-6-2-8-16-9-11-3-4-11/h5,7,10-11,13H,2-4,6,8-9H2,1H3,(H,14,15)
InChIKeyISOBPROOZUTYSK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 60972295) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
PubChem CID60972295
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
SMILESCC(NCCCOCC1CC1)c1ccn[nH]1
InChIInChI=1S/C12H21N3O/c1-10(12-5-7-14-15-12)13-6-2-8-16-9-11-3-4-11/h5,7,10-11,13H,2-4,6,8-9H2,1H3,(H,14,15)
InChIKeyISOBPROOZUTYSK-UHFFFAOYSA-N
XLogP1.88
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
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-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine (CID 60972295) is 3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine is CC(NCCCOCC1CC1)c1ccn[nH]1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is ISOBPROOZUTYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(12-5-7-14-15-12)13-6-2-8-16-9-11-3-4-11/h5,7,10-11,13H,2-4,6,8-9H2,1H3,(H,14,15).
What are the key properties of 3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 60972295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).