(5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone

C9H13N3O2 — CID 65360532

IUPAC(5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone
SMILESCn1ncc(C(=O)C2CCOC2)c1N
InChIInChI=1S/C9H13N3O2/c1-12-9(10)7(4-11-12)8(13)6-2-3-14-5-6/h4,6H,2-3,5,10H2,1H3
InChIKeyQPKPLNQTSGWYBP-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.22
Rot. Bonds2

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

(5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone (PubChem CID 65360532) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone
PubChem CID65360532
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone
SMILESCn1ncc(C(=O)C2CCOC2)c1N
InChIInChI=1S/C9H13N3O2/c1-12-9(10)7(4-11-12)8(13)6-2-3-14-5-6/h4,6H,2-3,5,10H2,1H3
InChIKeyQPKPLNQTSGWYBP-UHFFFAOYSA-N
XLogP0.22
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone (CID 65360532) is (5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone is Cn1ncc(C(=O)C2CCOC2)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone?
The InChIKey is QPKPLNQTSGWYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-9(10)7(4-11-12)8(13)6-2-3-14-5-6/h4,6H,2-3,5,10H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone has a molecular weight of 195.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 65360532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).