5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid

C22H21N3O3 — CID 75383497

IUPAC5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-20(22(27)28)13-23-25(15)19-9-7-17(8-10-19)21(26)24-12-11-18(14-24)16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3,(H,27,28)
InChIKeyQOUMHRMXVDBLSX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.51
Rot. Bonds4

About 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid

5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid (PubChem CID 75383497) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
PubChem CID75383497
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-20(22(27)28)13-23-25(15)19-9-7-17(8-10-19)21(26)24-12-11-18(14-24)16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3,(H,27,28)
InChIKeyQOUMHRMXVDBLSX-UHFFFAOYSA-N
XLogP3.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[4-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 154769440
1-[4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 119186667
1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 124683333
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
5-methyl-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 131963294
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892044
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568
5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid
CID 119182697
ethyl 5-methyl-1-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 43065113
(5-methyl-1-phenylpyrazol-4-yl)-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid (CID 75383497) is 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1.
What is the InChIKey of 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid?
The InChIKey is QOUMHRMXVDBLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-20(22(27)28)13-23-25(15)19-9-7-17(8-10-19)21(26)24-12-11-18(14-24)16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3,(H,27,28).
What are the key properties of 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid?
5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 75383497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).