N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C18H20N4O3 — CID 166283548

IUPACN-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1cc(N2CC(C(=O)Nc3cccc4c3CCOC4)CC2=O)cn1
InChIInChI=1S/C18H20N4O3/c1-21-10-14(8-19-21)22-9-13(7-17(22)23)18(24)20-16-4-2-3-12-11-25-6-5-15(12)16/h2-4,8,10,13H,5-7,9,11H2,1H3,(H,20,24)
InChIKeyUBQKOCZUTBMPLF-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.48
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide

N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 166283548) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID166283548
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1cc(N2CC(C(=O)Nc3cccc4c3CCOC4)CC2=O)cn1
InChIInChI=1S/C18H20N4O3/c1-21-10-14(8-19-21)22-9-13(7-17(22)23)18(24)20-16-4-2-3-12-11-25-6-5-15(12)16/h2-4,8,10,13H,5-7,9,11H2,1H3,(H,20,24)
InChIKeyUBQKOCZUTBMPLF-UHFFFAOYSA-N
XLogP1.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 39983041
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
(3R)-N-(furan-2-ylmethyl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97465205
1-(3-methylsulfanylphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 16545665
1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52995994
N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803681
1-(2,6-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186273
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 46538960
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 18077893
(3R)-1-(4-methylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7356940
1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 71830396

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 166283548) is N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide is Cn1cc(N2CC(C(=O)Nc3cccc4c3CCOC4)CC2=O)cn1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UBQKOCZUTBMPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21-10-14(8-19-21)22-9-13(7-17(22)23)18(24)20-16-4-2-3-12-11-25-6-5-15(12)16/h2-4,8,10,13H,5-7,9,11H2,1H3,(H,20,24).
What are the key properties of N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-5-yl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166283548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).