4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one

C19H21N5O4 — CID 145143357

IUPAC4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
SMILESC#Cc1cccc(-n2cc(NC(C)=O)c(C(N)=O)n2)c1.CN1CCC(O)C1=O
InChIInChI=1S/C14H12N4O2.C5H9NO2/c1-3-10-5-4-6-11(7-10)18-8-12(16-9(2)19)13(17-18)14(15)20;1-6-3-2-4(7)5(6)8/h1,4-8H,2H3,(H2,15,20)(H,16,19);4,7H,2-3H2,1H3
InChIKeySWRGWYRRZFTYNO-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.12
Rot. Bonds3

About 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one

4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 145143357) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID145143357
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
SMILESC#Cc1cccc(-n2cc(NC(C)=O)c(C(N)=O)n2)c1.CN1CCC(O)C1=O
InChIInChI=1S/C14H12N4O2.C5H9NO2/c1-3-10-5-4-6-11(7-10)18-8-12(16-9(2)19)13(17-18)14(15)20;1-6-3-2-4(7)5(6)8/h1,4-8H,2H3,(H2,15,20)(H,16,19);4,7H,2-3H2,1H3
InChIKeySWRGWYRRZFTYNO-UHFFFAOYSA-N
XLogP0.12
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143114
acetylene;1-(3-ethynylphenyl)-4-(methylamino)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143188
1-(3-ethynylphenyl)-4-[(1-methylpyrazol-3-yl)amino]pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143303
acetylene;4-amino-1-(3-ethynylphenyl)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143343
4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide
CID 145143409
1-(3-ethynylphenyl)-4-[(1-methylpyrazol-3-yl)amino]pyrazole-3-carboxamide
CID 145143211
5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143255
2-(3-ethynylphenyl)-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143403
4-(dimethylcarbamoylamino)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazole-3-carboxamide
CID 122508707
2-(3-ethynylphenyl)-5-(methanesulfonamido)-1,3-thiazole-4-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143406
3-(3-ethynylphenyl)indazole-1-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 144793213
6-(3-ethynylphenyl)-4-pyrimidin-2-ylpyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 144793987

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one (CID 145143357) is 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one is C#Cc1cccc(-n2cc(NC(C)=O)c(C(N)=O)n2)c1.CN1CCC(O)C1=O.
What is the InChIKey of 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is SWRGWYRRZFTYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2.C5H9NO2/c1-3-10-5-4-6-11(7-10)18-8-12(16-9(2)19)13(17-18)14(15)20;1-6-3-2-4(7)5(6)8/h1,4-8H,2H3,(H2,15,20)(H,16,19);4,7H,2-3H2,1H3.
What are the key properties of 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one?
4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 383.41 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 145143357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).