(5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone

C10H15N3O2 — CID 65360649

IUPAC(5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone
SMILESCn1ncc(C(=O)C2CCOCC2)c1N
InChIInChI=1S/C10H15N3O2/c1-13-10(11)8(6-12-13)9(14)7-2-4-15-5-3-7/h6-7H,2-5,11H2,1H3
InChIKeyPHLMFOLNQOGRFW-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone

(5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone (PubChem CID 65360649) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone
PubChem CID65360649
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone
SMILESCn1ncc(C(=O)C2CCOCC2)c1N
InChIInChI=1S/C10H15N3O2/c1-13-10(11)8(6-12-13)9(14)7-2-4-15-5-3-7/h6-7H,2-5,11H2,1H3
InChIKeyPHLMFOLNQOGRFW-UHFFFAOYSA-N
XLogP0.61
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Amino-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-one
CID 65360487
1-(5-Amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one
CID 15112559
(5-Amino-1-methylpyrazol-4-yl)-cyclohexylmethanone
CID 21700376
(1-methyl-1H-pyrazol-4-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 65195740
1-(5-amino-1-methyl-1H-pyrazol-4-yl)propan-1-one
CID 65360645
1-(5-Amino-1-ethylpyrazol-4-yl)propane-1,2-dione
CID 145633926
5-methyl-1-(oxan-2-yl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 178771064
Ethyl 3-(5-amino-1-ethyl-1H-pyrazol-4-YL)-3-oxopropanoate
CID 29921873
(1-Ethylpyrazol-4-yl)-(oxan-4-yl)methanone
CID 65328994
Oxan-4-yl-(1-propylpyrazol-4-yl)methanone
CID 65329426
1-(5-Amino-1-methylpyrazol-4-yl)-3-methylbutan-1-one
CID 65360053
1-(5-Amino-1-methylpyrazol-4-yl)-3-ethylheptan-1-one
CID 65360055

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone (CID 65360649) is (5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone is Cn1ncc(C(=O)C2CCOCC2)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone?
The InChIKey is PHLMFOLNQOGRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-10(11)8(6-12-13)9(14)7-2-4-15-5-3-7/h6-7H,2-5,11H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(oxan-4-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of 0.61, 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)-(oxan-4-yl)methanone is sourced from PubChem (CID 65360649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).