1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol

C13H23N3O2 — CID 106104833

IUPAC1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCn1ccc(CCNCC(O)COCC2CC2)n1
InChIInChI=1S/C13H23N3O2/c1-16-7-5-12(15-16)4-6-14-8-13(17)10-18-9-11-2-3-11/h5,7,11,13-14,17H,2-4,6,8-10H2,1H3
InChIKeyVSHLCGBDYJPGDX-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.34
Rot. Bonds9

About 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol

1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol (PubChem CID 106104833) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
PubChem CID106104833
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCn1ccc(CCNCC(O)COCC2CC2)n1
InChIInChI=1S/C13H23N3O2/c1-16-7-5-12(15-16)4-6-14-8-13(17)10-18-9-11-2-3-11/h5,7,11,13-14,17H,2-4,6,8-10H2,1H3
InChIKeyVSHLCGBDYJPGDX-UHFFFAOYSA-N
XLogP0.34
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.34
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-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778854
1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 106104795
(2S)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propane-1,2-diol
CID 106104702
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82873101
ethyl 3-hydroxy-4-[2-(1-methylpyrazol-3-yl)ethylamino]butanoate
CID 114144039
1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol
CID 106261580
2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 106104206
1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 112684548
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 106174220
N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104550

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol (CID 106104833) is 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol is Cn1ccc(CCNCC(O)COCC2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is VSHLCGBDYJPGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-16-7-5-12(15-16)4-6-14-8-13(17)10-18-9-11-2-3-11/h5,7,11,13-14,17H,2-4,6,8-10H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106104833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).