(5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone

C8H11N3O2 — CID 65360438

IUPAC(5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone
SMILESNc1[nH]ncc1C(=O)C1CCOC1
InChIInChI=1S/C8H11N3O2/c9-8-6(3-10-11-8)7(12)5-1-2-13-4-5/h3,5H,1-2,4H2,(H3,9,10,11)
InChIKeyIUOKIKXBOGWDRU-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.21
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone

(5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone (PubChem CID 65360438) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone
PubChem CID65360438
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone
SMILESNc1[nH]ncc1C(=O)C1CCOC1
InChIInChI=1S/C8H11N3O2/c9-8-6(3-10-11-8)7(12)5-1-2-13-4-5/h3,5H,1-2,4H2,(H3,9,10,11)
InChIKeyIUOKIKXBOGWDRU-UHFFFAOYSA-N
XLogP0.21
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone (CID 65360438) is (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone is Nc1[nH]ncc1C(=O)C1CCOC1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone?
The InChIKey is IUOKIKXBOGWDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-8-6(3-10-11-8)7(12)5-1-2-13-4-5/h3,5H,1-2,4H2,(H3,9,10,11).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 65360438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).