1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

C15H23N3O3 — CID 63722049

IUPAC1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-5-18-13(6-12(16-18)9(2)3)14(19)17-7-10(4)11(8-17)15(20)21/h6,9-11H,5,7-8H2,1-4H3,(H,20,21)
InChIKeyHHOFBZDMRHYXKX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.82
Rot. Bonds4

About 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63722049) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63722049
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-5-18-13(6-12(16-18)9(2)3)14(19)17-7-10(4)11(8-17)15(20)21/h6,9-11H,5,7-8H2,1-4H3,(H,20,21)
InChIKeyHHOFBZDMRHYXKX-UHFFFAOYSA-N
XLogP1.82
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49791055
(3R)-1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinol
CID 70717897
N,N-diethyl-1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinamine
CID 70762442
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinyl}methanol
CID 72859886
(3R*,4R*)-3-cyclopropyl-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-4-methyl-3-pyrrolidinol
CID 72905869
1-(1-Tert-butyl-5-methylpyrazole-3-carbonyl)-2-methylazetidine-2-carboxylic acid
CID 49791246
(1-Methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 59712183
(3aS*,7aR*)-2-[(1-ethyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]-5-methyloctahydro-3aH-pyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70726893
{(3R*,4R*)-1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]-4-[(4-methyl-1-piperazinyl)methyl]-3-pyrrolidinyl}methanol
CID 72890885
{(3R*,4R*)-1-[(1-ethyl-5-methyl-1H-pyrazol-3-yl)carbonyl]-4-[(4-methyl-1-piperazinyl)methyl]-3-pyrrolidinyl}methanol
CID 72893060
1-{4-[1-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-YL]piperidin-1-YL}ethan-1-one
CID 124074571
1-butyl-4-[(3-isopropyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-2-piperazinone
CID 70729133

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63722049) is 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is CCn1nc(C(C)C)cc1C(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HHOFBZDMRHYXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18-13(6-12(16-18)9(2)3)14(19)17-7-10(4)11(8-17)15(20)21/h6,9-11H,5,7-8H2,1-4H3,(H,20,21).
What are the key properties of 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63722049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).