2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide

C17H21N5O3 — CID 91794568

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCOc1cccc(N2CC(NC(=O)Cn3nc(C)cc3N)CC2=O)c1
InChIInChI=1S/C17H21N5O3/c1-11-6-15(18)22(20-11)10-16(23)19-12-7-17(24)21(9-12)13-4-3-5-14(8-13)25-2/h3-6,8,12H,7,9-10,18H2,1-2H3,(H,19,23)
InChIKeySWRZEVAXAXUYDR-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.70
Rot. Bonds5

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 91794568) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID91794568
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCOc1cccc(N2CC(NC(=O)Cn3nc(C)cc3N)CC2=O)c1
InChIInChI=1S/C17H21N5O3/c1-11-6-15(18)22(20-11)10-16(23)19-12-7-17(24)21(9-12)13-4-3-5-14(8-13)25-2/h3-6,8,12H,7,9-10,18H2,1-2H3,(H,19,23)
InChIKeySWRZEVAXAXUYDR-UHFFFAOYSA-N
XLogP0.70
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125161093
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544007
ethyl 4-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544005
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 134813179
2-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822193
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide (CID 91794568) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide is COc1cccc(N2CC(NC(=O)Cn3nc(C)cc3N)CC2=O)c1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is SWRZEVAXAXUYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-6-15(18)22(20-11)10-16(23)19-12-7-17(24)21(9-12)13-4-3-5-14(8-13)25-2/h3-6,8,12H,7,9-10,18H2,1-2H3,(H,19,23).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91794568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).