(3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone

C10H15N3O2 — CID 16925244

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1nn(C)cc1C(=O)N1CCCC1
InChIInChI=1S/C10H15N3O2/c1-12-7-8(9(11-12)15-2)10(14)13-5-3-4-6-13/h7H,3-6H2,1-2H3
InChIKeyDMNWFGOSJLKULP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.66
Rot. Bonds2

About (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone

(3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 16925244) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID16925244
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1nn(C)cc1C(=O)N1CCCC1
InChIInChI=1S/C10H15N3O2/c1-12-7-8(9(11-12)15-2)10(14)13-5-3-4-6-13/h7H,3-6H2,1-2H3
InChIKeyDMNWFGOSJLKULP-UHFFFAOYSA-N
XLogP0.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-methyl-1H-pyrazole-4-carbaldehyde
CID 57440996
5-methoxy-1-methyl-1H-pyrazole-4-carbaldehyde
CID 83479070
(3-methoxy-1-methyl-1H-pyrazol-4-yl)(4-methylpiperidin-1-yl)methanone
CID 16925246
3-methoxy-1-methyl-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1H-pyrazole-4-carboxamide
CID 49671009
N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
3-methoxy-1-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 71796128
N-Ethyl-3-methoxy-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 45097881
N-ethyl-1-methyl-3-(prop-2-yn-1-yloxy)-N-propyl-1H-pyrazole-4-carboxamide
CID 76334034
3-methoxy-N-(2-methoxyethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 16925263
N-cyclopentyl-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 16925267
(3-ethoxy-1-ethyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 16925364
(3-propoxy-1-propyl-1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 16925481

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone (CID 16925244) is (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone is COc1nn(C)cc1C(=O)N1CCCC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is DMNWFGOSJLKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-7-8(9(11-12)15-2)10(14)13-5-3-4-6-13/h7H,3-6H2,1-2H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
(3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 209.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 16925244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).