1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol

C13H23N3O2 — CID 112684548

IUPAC1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
SMILESOC(CNCCCn1cccn1)COCC1CC1
InChIInChI=1S/C13H23N3O2/c17-13(11-18-10-12-3-4-12)9-14-5-1-7-16-8-2-6-15-16/h2,6,8,12-14,17H,1,3-5,7,9-11H2
InChIKeyDOGBPYCNWBBFDK-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.65
Rot. Bonds10

About 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol

1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol (PubChem CID 112684548) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
PubChem CID112684548
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
SMILESOC(CNCCCn1cccn1)COCC1CC1
InChIInChI=1S/C13H23N3O2/c17-13(11-18-10-12-3-4-12)9-14-5-1-7-16-8-2-6-15-16/h2,6,8,12-14,17H,1,3-5,7,9-11H2
InChIKeyDOGBPYCNWBBFDK-UHFFFAOYSA-N
XLogP0.65
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 63932971
1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462857
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 115579730
1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905370
1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518339
1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 106104833
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-cyclopropyl-2-(2-pyrazol-1-ylethylamino)ethanol
CID 63299027
1-(cyclohexylmethoxy)-3-(propylamino)propan-2-ol
CID 62382060
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60898299

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol (CID 112684548) is 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol is OC(CNCCCn1cccn1)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol?
The InChIKey is DOGBPYCNWBBFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-13(11-18-10-12-3-4-12)9-14-5-1-7-16-8-2-6-15-16/h2,6,8,12-14,17H,1,3-5,7,9-11H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol is sourced from PubChem (CID 112684548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).