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

C11H17N3O2 — CID 114669700

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1(C)CCCN1
InChIInChI=1S/C11H17N3O2/c1-11(5-4-6-12-11)10(15)9-8(16-3)7-13-14(9)2/h7,12H,4-6H2,1-3H3
InChIKeyUPSZVGOHJDGKGG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.75
Rot. Bonds3

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

(4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 114669700) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID114669700
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1(C)CCCN1
InChIInChI=1S/C11H17N3O2/c1-11(5-4-6-12-11)10(15)9-8(16-3)7-13-14(9)2/h7,12H,4-6H2,1-3H3
InChIKeyUPSZVGOHJDGKGG-UHFFFAOYSA-N
XLogP0.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
CID 114671308
(4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone
CID 114641841
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
5-methoxy-1-methyl-4-(2-methylpyrrolidin-2-yl)pyrazole
CID 82606362
(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
CID 116580427
(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829733
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperazin-1-ylethanone
CID 114668690
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
CID 114669849
(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 116580459

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone (CID 114669700) is (4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone is COc1cnn(C)c1C(=O)C1(C)CCCN1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is UPSZVGOHJDGKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(5-4-6-12-11)10(15)9-8(16-3)7-13-14(9)2/h7,12H,4-6H2,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone?
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 114669700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).