1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid

C14H22N4O3 — CID 63147373

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCc2cn[nH]c2C)C1
InChIInChI=1S/C14H22N4O3/c1-3-4-14(12(19)20)5-6-18(9-14)13(21)15-7-11-8-16-17-10(11)2/h8H,3-7,9H2,1-2H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyAODCWOYBGPWBTR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.50
Rot. Bonds5

About 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid

1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63147373) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63147373
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCc2cn[nH]c2C)C1
InChIInChI=1S/C14H22N4O3/c1-3-4-14(12(19)20)5-6-18(9-14)13(21)15-7-11-8-16-17-10(11)2/h8H,3-7,9H2,1-2H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyAODCWOYBGPWBTR-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63147373) is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NCc2cn[nH]c2C)C1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is AODCWOYBGPWBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-4-14(12(19)20)5-6-18(9-14)13(21)15-7-11-8-16-17-10(11)2/h8H,3-7,9H2,1-2H3,(H,15,21)(H,16,17)(H,19,20).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).