3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide

C20H28N4O3 — CID 45242132

IUPAC3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide
SMILESCCCc1cc(CN(C)C(=O)CCC2(Cc3ccco3)CCC(=O)N2)[nH]n1
InChIInChI=1S/C20H28N4O3/c1-3-5-15-12-16(23-22-15)14-24(2)19(26)8-10-20(9-7-18(25)21-20)13-17-6-4-11-27-17/h4,6,11-12H,3,5,7-10,13-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyKHSNUOUIFWCPII-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.59
Rot. Bonds9

About 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide

3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide (PubChem CID 45242132) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide
PubChem CID45242132
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide
SMILESCCCc1cc(CN(C)C(=O)CCC2(Cc3ccco3)CCC(=O)N2)[nH]n1
InChIInChI=1S/C20H28N4O3/c1-3-5-15-12-16(23-22-15)14-24(2)19(26)8-10-20(9-7-18(25)21-20)13-17-6-4-11-27-17/h4,6,11-12H,3,5,7-10,13-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyKHSNUOUIFWCPII-UHFFFAOYSA-N
XLogP2.59
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one
CID 45179438
N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 42471156
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 45179174
ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate
CID 42472892
N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 45211592
N-methyl-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 126463504
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26278897
3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
CID 45206144
3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(R)-[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
CID 42482787
3-[2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylpropanamide
CID 45227113
N-methyl-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinoxalin-6-ylmethyl)propanamide
CID 45208504
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45237272

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide?
The IUPAC name of 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide (CID 45242132) is 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide is CCCc1cc(CN(C)C(=O)CCC2(Cc3ccco3)CCC(=O)N2)[nH]n1.
What is the InChIKey of 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide?
The InChIKey is KHSNUOUIFWCPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-5-15-12-16(23-22-15)14-24(2)19(26)8-10-20(9-7-18(25)21-20)13-17-6-4-11-27-17/h4,6,11-12H,3,5,7-10,13-14H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide?
3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide is sourced from PubChem (CID 45242132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).