5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid

C18H20N4O4 — CID 119182697

IUPAC5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1
InChIInChI=1S/C18H20N4O4/c1-11-14(18(25)26)10-20-22(11)13-7-5-12(6-8-13)17(24)21-9-3-4-15(21)16(23)19-2/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,23)(H,25,26)
InChIKeyCTRHNAOPXLXBFK-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.23
Rot. Bonds4

About 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid

5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid (PubChem CID 119182697) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid
PubChem CID119182697
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1
InChIInChI=1S/C18H20N4O4/c1-11-14(18(25)26)10-20-22(11)13-7-5-12(6-8-13)17(24)21-9-3-4-15(21)16(23)19-2/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,23)(H,25,26)
InChIKeyCTRHNAOPXLXBFK-UHFFFAOYSA-N
XLogP1.23
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 95977610
1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide
CID 56533931
5-methyl-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 131963294
5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 75383497
[4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59264675
1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 124683333
ethyl 5-methyl-1-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 43065113
1-[4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 119186667
1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 113288544
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
(2S)-1-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 124696505
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119650990

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid (CID 119182697) is 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid is CNC(=O)C1CCCN1C(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1.
What is the InChIKey of 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid?
The InChIKey is CTRHNAOPXLXBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-14(18(25)26)10-20-22(11)13-7-5-12(6-8-13)17(24)21-9-3-4-15(21)16(23)19-2/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,23)(H,25,26).
What are the key properties of 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid?
5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 119182697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).