1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid

C19H23N3O4 — CID 124683333

IUPAC1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid
SMILESCCO[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(C(=O)O)c3C)cc2)C1
InChIInChI=1S/C19H23N3O4/c1-3-26-16-5-4-10-21(12-16)18(23)14-6-8-15(9-7-14)22-13(2)17(11-20-22)19(24)25/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyYBECWSANUCHOFL-MRXNPFEDSA-N
MW357.41 g/mol
LogP2.52
Rot. Bonds5

About 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid

1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid (PubChem CID 124683333) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid
PubChem CID124683333
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid
SMILESCCO[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(C(=O)O)c3C)cc2)C1
InChIInChI=1S/C19H23N3O4/c1-3-26-16-5-4-10-21(12-16)18(23)14-6-8-15(9-7-14)22-13(2)17(11-20-22)19(24)25/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyYBECWSANUCHOFL-MRXNPFEDSA-N
XLogP2.52
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 47736836
5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 75383497
1-[4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 119186667
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
5-methyl-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 131963294
(5-methyl-1-phenylpyrazol-4-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257217
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
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid
CID 119182697
[4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59264675
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122160997

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid (CID 124683333) is 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid is CCO[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(C(=O)O)c3C)cc2)C1.
What is the InChIKey of 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
The InChIKey is YBECWSANUCHOFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-26-16-5-4-10-21(12-16)18(23)14-6-8-15(9-7-14)22-13(2)17(11-20-22)19(24)25/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 124683333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).