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

C15H22N4O3 — CID 118790095

IUPAC1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C([C@@H]1CCCN1C(=O)CCc1cn[nH]c1)N1CCOCC1
InChIInChI=1S/C15H22N4O3/c20-14(4-3-12-10-16-17-11-12)19-5-1-2-13(19)15(21)18-6-8-22-9-7-18/h10-11,13H,1-9H2,(H,16,17)/t13-/m0/s1
InChIKeyOZBMINXRVGYDPL-ZDUSSCGKSA-N
MW306.37 g/mol
LogP0.19
Rot. Bonds4

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

1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 118790095) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID118790095
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C([C@@H]1CCCN1C(=O)CCc1cn[nH]c1)N1CCOCC1
InChIInChI=1S/C15H22N4O3/c20-14(4-3-12-10-16-17-11-12)19-5-1-2-13(19)15(21)18-6-8-22-9-7-18/h10-11,13H,1-9H2,(H,16,17)/t13-/m0/s1
InChIKeyOZBMINXRVGYDPL-ZDUSSCGKSA-N
XLogP0.19
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 134704915
1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
CID 95894355
5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 60954153
1-(4-chlorophenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305907
1-(4-methylphenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305871
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424937
(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 26390979
N-(1H-pyrazol-4-ylmethyl)morpholine-4-carboxamide
CID 79151879
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
2-(5-methyl-1,2-oxazol-3-yl)-1-[2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 136525724
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 118790095) is 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is O=C([C@@H]1CCCN1C(=O)CCc1cn[nH]c1)N1CCOCC1.
What is the InChIKey of 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is OZBMINXRVGYDPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-14(4-3-12-10-16-17-11-12)19-5-1-2-13(19)15(21)18-6-8-22-9-7-18/h10-11,13H,1-9H2,(H,16,17)/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 306.37 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 118790095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).