1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

C21H26N4O4 — CID 121145243

IUPAC1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3cnn(CC4CCCCO4)c3)CC2=O)c1
InChIInChI=1S/C21H26N4O4/c1-28-18-7-4-5-17(10-18)25-12-15(9-20(25)26)21(27)23-16-11-22-24(13-16)14-19-6-2-3-8-29-19/h4-5,7,10-11,13,15,19H,2-3,6,8-9,12,14H2,1H3,(H,23,27)
InChIKeyVUOBXCQVTXCQLV-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.45
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 121145243) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID121145243
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3cnn(CC4CCCCO4)c3)CC2=O)c1
InChIInChI=1S/C21H26N4O4/c1-28-18-7-4-5-17(10-18)25-12-15(9-20(25)26)21(27)23-16-11-22-24(13-16)14-19-6-2-3-8-29-19/h4-5,7,10-11,13,15,19H,2-3,6,8-9,12,14H2,1H3,(H,23,27)
InChIKeyVUOBXCQVTXCQLV-UHFFFAOYSA-N
XLogP2.45
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 129354485
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148
1-(3-methoxyphenyl)-5-oxo-N-[4-(oxolane-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
CID 42955805
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355197
3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145386
1-(3-bromophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 90622513
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388317
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 121145243) is 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3cnn(CC4CCCCO4)c3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VUOBXCQVTXCQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-18-7-4-5-17(10-18)25-12-15(9-20(25)26)21(27)23-16-11-22-24(13-16)14-19-6-2-3-8-29-19/h4-5,7,10-11,13,15,19H,2-3,6,8-9,12,14H2,1H3,(H,23,27).
What are the key properties of 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 121145243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).