3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

C17H26N4O3 — CID 74235337

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1C
InChIInChI=1S/C17H26N4O3/c1-12-13(2)18-19-14(12)5-6-16(22)21-7-3-4-15(21)17(23)20-8-10-24-11-9-20/h15H,3-11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyFZPKVQSCELCHPZ-HNNXBMFYSA-N
MW334.42 g/mol
LogP0.81
Rot. Bonds4

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 74235337) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID74235337
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1C
InChIInChI=1S/C17H26N4O3/c1-12-13(2)18-19-14(12)5-6-16(22)21-7-3-4-15(21)17(23)20-8-10-24-11-9-20/h15H,3-11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyFZPKVQSCELCHPZ-HNNXBMFYSA-N
XLogP0.81
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 74235337) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is Cc1[nH]nc(CCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is FZPKVQSCELCHPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-13(2)18-19-14(12)5-6-16(22)21-7-3-4-15(21)17(23)20-8-10-24-11-9-20/h15H,3-11H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 334.42 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 74235337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).