[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H26N4O2 — CID 110249131

IUPAC[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(CN2CCCC2(C)C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C16H26N4O2/c1-13-14(11-17-18(13)3)12-20-6-4-5-16(20,2)15(21)19-7-9-22-10-8-19/h11H,4-10,12H2,1-3H3
InChIKeyQCWXYMSNPQMDLW-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.94
Rot. Bonds3

About [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110249131) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110249131
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(CN2CCCC2(C)C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C16H26N4O2/c1-13-14(11-17-18(13)3)12-20-6-4-5-16(20,2)15(21)19-7-9-22-10-8-19/h11H,4-10,12H2,1-3H3
InChIKeyQCWXYMSNPQMDLW-UHFFFAOYSA-N
XLogP0.94
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 110244221
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 110253470
7-(2-methoxyethyl)-2-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72884884
[8-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 124075214
4-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-L-prolyl}morpholine
CID 77082969
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-morpholin-4-ylpentanamide
CID 126840374
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 164629294
[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 164634702
[(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120949396
[(2S,4R)-4-fluoro-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120949402
[(2S,4R)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120949421
[(2S,4R)-1-[(1-tert-butylpyrazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120949441

Frequently Asked Questions

What is the IUPAC name of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110249131) is [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1c(CN2CCCC2(C)C(=O)N2CCOCC2)cnn1C.
What is the InChIKey of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is QCWXYMSNPQMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-14(11-17-18(13)3)12-20-6-4-5-16(20,2)15(21)19-7-9-22-10-8-19/h11H,4-10,12H2,1-3H3.
What are the key properties of [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 306.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110249131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).