1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid

C17H19N3O3 — CID 119354409

IUPAC1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc(-n2ncc(C(=O)N3CCC(C(=O)O)C3)c2C)c1
InChIInChI=1S/C17H19N3O3/c1-11-4-3-5-14(8-11)20-12(2)15(9-18-20)16(21)19-7-6-13(10-19)17(22)23/h3-5,8-9,13H,6-7,10H2,1-2H3,(H,22,23)
InChIKeyUTPQUPBLLTXJHM-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.04
Rot. Bonds3

About 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid

1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354409) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119354409
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc(-n2ncc(C(=O)N3CCC(C(=O)O)C3)c2C)c1
InChIInChI=1S/C17H19N3O3/c1-11-4-3-5-14(8-11)20-12(2)15(9-18-20)16(21)19-7-6-13(10-19)17(22)23/h3-5,8-9,13H,6-7,10H2,1-2H3,(H,22,23)
InChIKeyUTPQUPBLLTXJHM-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate
CID 36710484
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528763
(3S)-1-[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119113662
(3S)-1-[1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119113534
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
4-[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119238830
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568
[1-(3-bromophenyl)-5-methylpyrazol-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636519
(3R)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698115
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90586770
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid (CID 119354409) is 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid is Cc1cccc(-n2ncc(C(=O)N3CCC(C(=O)O)C3)c2C)c1.
What is the InChIKey of 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UTPQUPBLLTXJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-4-3-5-14(8-11)20-12(2)15(9-18-20)16(21)19-7-6-13(10-19)17(22)23/h3-5,8-9,13H,6-7,10H2,1-2H3,(H,22,23).
What are the key properties of 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).