(5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C13H21N3O2 — CID 114622430

IUPAC(5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCn1ncc(C(=O)C2CC(C)(C)OC2(C)C)c1N
InChIInChI=1S/C13H21N3O2/c1-12(2)6-9(13(3,4)18-12)10(17)8-7-15-16(5)11(8)14/h7,9H,6,14H2,1-5H3
InChIKeyGCWXVHRVXWUHJB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 114622430) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID114622430
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCn1ncc(C(=O)C2CC(C)(C)OC2(C)C)c1N
InChIInChI=1S/C13H21N3O2/c1-12(2)6-9(13(3,4)18-12)10(17)8-7-15-16(5)11(8)14/h7,9H,6,14H2,1-5H3
InChIKeyGCWXVHRVXWUHJB-UHFFFAOYSA-N
XLogP1.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Amino-1-methylpyrazol-4-yl)hexan-1-one
CID 65360052
1-(5-Amino-1-methylpyrazol-4-yl)-3-ethylheptan-1-one
CID 65360055
1-(5-Amino-1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanone
CID 65360107
1-(5-Amino-1-methylpyrazol-4-yl)-2-cyclopropylethanone
CID 65360261
(5-Amino-1-methylpyrazol-4-yl)-cyclopentylmethanone
CID 65360262
1-(5-Amino-1-methylpyrazol-4-yl)-3-methylhexan-1-one
CID 65360329
1-(5-Amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one
CID 65360330
1-(5-Amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone
CID 65360423
(5-Amino-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone
CID 65360532
1-(5-Amino-1-methylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-one
CID 65360540
1-(5-Amino-1-methylpyrazol-4-yl)pentan-1-one
CID 65360646
(5-Amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone
CID 65360649

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 114622430) is (5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is Cn1ncc(C(=O)C2CC(C)(C)OC2(C)C)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is GCWXVHRVXWUHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-12(2)6-9(13(3,4)18-12)10(17)8-7-15-16(5)11(8)14/h7,9H,6,14H2,1-5H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.78, 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)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 114622430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).