1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid

C15H15N3O4 — CID 167745157

IUPAC1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(N3CC(C(=O)O)CC3=O)cc2)n[nH]1
InChIInChI=1S/C15H15N3O4/c1-9-6-13(17-16-9)22-12-4-2-11(3-5-12)18-8-10(15(20)21)7-14(18)19/h2-6,10H,7-8H2,1H3,(H,16,17)(H,20,21)
InChIKeyIYWIDLUVWKGYMM-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.95
Rot. Bonds4

About 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 167745157) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID167745157
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(N3CC(C(=O)O)CC3=O)cc2)n[nH]1
InChIInChI=1S/C15H15N3O4/c1-9-6-13(17-16-9)22-12-4-2-11(3-5-12)18-8-10(15(20)21)7-14(18)19/h2-6,10H,7-8H2,1H3,(H,16,17)(H,20,21)
InChIKeyIYWIDLUVWKGYMM-UHFFFAOYSA-N
XLogP1.95
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-[4-(4-aminophenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691781
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 7220291
methyl 1-(5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693953
1-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 54964606
1-(4-fluorophenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332541
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(3S)-1-(3-amino-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076155
4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122332538
(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7232453
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 167745157) is 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1cc(Oc2ccc(N3CC(C(=O)O)CC3=O)cc2)n[nH]1.
What is the InChIKey of 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is IYWIDLUVWKGYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-6-13(17-16-9)22-12-4-2-11(3-5-12)18-8-10(15(20)21)7-14(18)19/h2-6,10H,7-8H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167745157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).