(4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone

C12H18N2O3 — CID 114641841

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1(C)CCCCO1
InChIInChI=1S/C12H18N2O3/c1-12(6-4-5-7-17-12)11(15)10-9(16-3)8-13-14(10)2/h8H,4-7H2,1-3H3
InChIKeyZSYLQWZMTCSTFK-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.57
Rot. Bonds3

About (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone

(4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone (PubChem CID 114641841) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone
PubChem CID114641841
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1(C)CCCCO1
InChIInChI=1S/C12H18N2O3/c1-12(6-4-5-7-17-12)11(15)10-9(16-3)8-13-14(10)2/h8H,4-7H2,1-3H3
InChIKeyZSYLQWZMTCSTFK-UHFFFAOYSA-N
XLogP1.57
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone (CID 114641841) is (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone is COc1cnn(C)c1C(=O)C1(C)CCCCO1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone?
The InChIKey is ZSYLQWZMTCSTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(6-4-5-7-17-12)11(15)10-9(16-3)8-13-14(10)2/h8H,4-7H2,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone?
(4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone is sourced from PubChem (CID 114641841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).