1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C20H26N4O3 — CID 122084884

IUPAC1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C20H26N4O3/c1-13-16(20(2,3)4)22-24(15-8-6-5-7-9-15)17(13)21-19(27)23-11-10-14(12-23)18(25)26/h5-9,14H,10-12H2,1-4H3,(H,21,27)(H,25,26)
InChIKeyLCVQTZMRGRTVJL-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.42
Rot. Bonds3

About 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122084884) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122084884
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C20H26N4O3/c1-13-16(20(2,3)4)22-24(15-8-6-5-7-9-15)17(13)21-19(27)23-11-10-14(12-23)18(25)26/h5-9,14H,10-12H2,1-4H3,(H,21,27)(H,25,26)
InChIKeyLCVQTZMRGRTVJL-UHFFFAOYSA-N
XLogP3.42
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide
CID 71845302
1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122088889
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
1-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 99810788
1-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089042
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079262
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 86897810
1-[(1-methyl-3-phenylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122088712
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide
CID 86897789
1-[(1-benzyl-3-tert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122075393

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122084884) is 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid is Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LCVQTZMRGRTVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-16(20(2,3)4)22-24(15-8-6-5-7-9-15)17(13)21-19(27)23-11-10-14(12-23)18(25)26/h5-9,14H,10-12H2,1-4H3,(H,21,27)(H,25,26).
What are the key properties of 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122084884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).