1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide

C20H20N4O2 — CID 95719674

IUPAC1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1
InChIInChI=1S/C20H20N4O2/c1-23-11-16(10-21-23)20(26)22-17-9-19(25)24(13-17)12-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,10-11,17H,9,12-13H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyPAVVYLCKIMGCON-QGZVFWFLSA-N
MW348.41 g/mol
LogP2.10
Rot. Bonds4

About 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide

1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 95719674) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID95719674
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1
InChIInChI=1S/C20H20N4O2/c1-23-11-16(10-21-23)20(26)22-17-9-19(25)24(13-17)12-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,10-11,17H,9,12-13H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyPAVVYLCKIMGCON-QGZVFWFLSA-N
XLogP2.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 42392664
5-chloro-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 95712863
4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95711538
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
2-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45226277
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 56904815
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-5-propyl-1,2-oxazole-4-carboxamide
CID 95727197
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 45238063
4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56902155
2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45233435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide (CID 95719674) is 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1.
What is the InChIKey of 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is PAVVYLCKIMGCON-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-11-16(10-21-23)20(26)22-17-9-19(25)24(13-17)12-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,10-11,17H,9,12-13H2,1H3,(H,22,26)/t17-/m1/s1.
What are the key properties of 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide?
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 95719674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).