1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid

C17H20N4O3 — CID 122092567

IUPAC1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(-c2ccnn2C)cc1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C17H20N4O3/c1-11-3-4-12(15-5-7-18-20(15)2)9-14(11)19-17(24)21-8-6-13(10-21)16(22)23/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyNYIYUJVDFNXANL-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.33
Rot. Bonds3

About 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122092567) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122092567
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(-c2ccnn2C)cc1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C17H20N4O3/c1-11-3-4-12(15-5-7-18-20(15)2)9-14(11)19-17(24)21-8-6-13(10-21)16(22)23/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyNYIYUJVDFNXANL-UHFFFAOYSA-N
XLogP2.33
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092570
3-methyl-1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092574
4-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]cyclohexane-1-carboxylic acid
CID 122033887
1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086313
1-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074107
1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea
CID 125140861
(2S,3S)-3-methyl-N-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide
CID 136586352
1-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087409
5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103026
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122094127
1-[(2-bromo-5-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82766636

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122092567) is 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid is Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NYIYUJVDFNXANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-3-4-12(15-5-7-18-20(15)2)9-14(11)19-17(24)21-8-6-13(10-21)16(22)23/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,19,24)(H,22,23).
What are the key properties of 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122092567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).