3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H22N4O3 — CID 102782438

IUPAC3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1[nH]ncc1CCCNC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-9-5-7-18(12(9)13(19)20)14(21)15-6-3-4-11-8-16-17-10(11)2/h8-9,12H,3-7H2,1-2H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyGBFUZTMHHUVTPK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.16
Rot. Bonds5

About 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 102782438) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID102782438
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1[nH]ncc1CCCNC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-9-5-7-18(12(9)13(19)20)14(21)15-6-3-4-11-8-16-17-10(11)2/h8-9,12H,3-7H2,1-2H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyGBFUZTMHHUVTPK-UHFFFAOYSA-N
XLogP1.16
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 102782438) is 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1[nH]ncc1CCCNC(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GBFUZTMHHUVTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-5-7-18(12(9)13(19)20)14(21)15-6-3-4-11-8-16-17-10(11)2/h8-9,12H,3-7H2,1-2H3,(H,15,21)(H,16,17)(H,19,20).
What are the key properties of 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102782438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).