1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one

C11H17N3O2 — CID 65360540

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCn1ncc(C(=O)CCC2CCCO2)c1N
InChIInChI=1S/C11H17N3O2/c1-14-11(12)9(7-13-14)10(15)5-4-8-3-2-6-16-8/h7-8H,2-6,12H2,1H3
InChIKeyRZUPTBLBQREYNM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.14
Rot. Bonds4

About 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one

1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 65360540) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID65360540
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCn1ncc(C(=O)CCC2CCCO2)c1N
InChIInChI=1S/C11H17N3O2/c1-14-11(12)9(7-13-14)10(15)5-4-8-3-2-6-16-8/h7-8H,2-6,12H2,1H3
InChIKeyRZUPTBLBQREYNM-UHFFFAOYSA-N
XLogP1.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one (CID 65360540) is 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one is Cn1ncc(C(=O)CCC2CCCO2)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is RZUPTBLBQREYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-11(12)9(7-13-14)10(15)5-4-8-3-2-6-16-8/h7-8H,2-6,12H2,1H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one?
1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 223.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 65360540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).