1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C14H22N4O3 — CID 122090412

IUPAC1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccnn2C(C)(C)C)C1
InChIInChI=1S/C14H22N4O3/c1-13(2,3)18-10(5-7-15-18)16-12(21)17-8-6-14(4,9-17)11(19)20/h5,7H,6,8-9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyVFYPGDWDSNQKPF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.97
Rot. Bonds2

About 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122090412) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122090412
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccnn2C(C)(C)C)C1
InChIInChI=1S/C14H22N4O3/c1-13(2,3)18-10(5-7-15-18)16-12(21)17-8-6-14(4,9-17)11(19)20/h5,7H,6,8-9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyVFYPGDWDSNQKPF-UHFFFAOYSA-N
XLogP1.97
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090578
1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090384
1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090400
1-[(2-methoxy-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093310
1-[(3-bromo-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088443
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319
1-[[4-(tert-butylcarbamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075361
3-methyl-1-[(2-phenylpyrimidin-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076984
N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 167931777
3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091036
3-methyl-1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092574
3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63138087

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122090412) is 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccnn2C(C)(C)C)C1.
What is the InChIKey of 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is VFYPGDWDSNQKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-13(2,3)18-10(5-7-15-18)16-12(21)17-8-6-14(4,9-17)11(19)20/h5,7H,6,8-9H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122090412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).