5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine

C9H15N3O — CID 90258843

IUPAC5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine
SMILESC=CCOC(C)(C)c1cc(N)n[nH]1
InChIInChI=1S/C9H15N3O/c1-4-5-13-9(2,3)7-6-8(10)12-11-7/h4,6H,1,5H2,2-3H3,(H3,10,11,12)
InChIKeyMPYVVCJJAZUXFM-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.43
Rot. Bonds4

About 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine

5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine (PubChem CID 90258843) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine
PubChem CID90258843
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine
SMILESC=CCOC(C)(C)c1cc(N)n[nH]1
InChIInChI=1S/C9H15N3O/c1-4-5-13-9(2,3)7-6-8(10)12-11-7/h4,6H,1,5H2,2-3H3,(H3,10,11,12)
InChIKeyMPYVVCJJAZUXFM-UHFFFAOYSA-N
XLogP1.43
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine (CID 90258843) is 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine is C=CCOC(C)(C)c1cc(N)n[nH]1.
What is the InChIKey of 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is MPYVVCJJAZUXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-5-13-9(2,3)7-6-8(10)12-11-7/h4,6H,1,5H2,2-3H3,(H3,10,11,12).
What are the key properties of 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine?
5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-prop-2-enoxypropan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 90258843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).