3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

C21H21N5O3 — CID 126853897

IUPAC3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cncc(N3CCCC3=O)c2)[nH]n1
InChIInChI=1S/C21H21N5O3/c1-29-19-6-3-2-5-16(19)17-10-18(25-24-17)21(28)23-12-14-9-15(13-22-11-14)26-8-4-7-20(26)27/h2-3,5-6,9-11,13H,4,7-8,12H2,1H3,(H,23,28)(H,24,25)
InChIKeyXYLQLOZSUFVEFI-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.54
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 126853897) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID126853897
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cncc(N3CCCC3=O)c2)[nH]n1
InChIInChI=1S/C21H21N5O3/c1-29-19-6-3-2-5-16(19)17-10-18(25-24-17)21(28)23-12-14-9-15(13-22-11-14)26-8-4-7-20(26)27/h2-3,5-6,9-11,13H,4,7-8,12H2,1H3,(H,23,28)(H,24,25)
InChIKeyXYLQLOZSUFVEFI-UHFFFAOYSA-N
XLogP2.54
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
CID 90490047
3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165473
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 126851451
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
5-methoxy-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 146038734
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91817235
1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 122246040
3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46964164

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (CID 126853897) is 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2cncc(N3CCCC3=O)c2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XYLQLOZSUFVEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-29-19-6-3-2-5-16(19)17-10-18(25-24-17)21(28)23-12-14-9-15(13-22-11-14)26-8-4-7-20(26)27/h2-3,5-6,9-11,13H,4,7-8,12H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 126853897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).