1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid

C15H17N3O3S — CID 75514798

IUPAC1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCCC(n2cc(C(=O)O)cn2)C1
InChIInChI=1S/C15H17N3O3S/c1-10-4-6-22-13(10)14(19)17-5-2-3-12(9-17)18-8-11(7-16-18)15(20)21/h4,6-8,12H,2-3,5,9H2,1H3,(H,20,21)
InChIKeyZXQYXQNLIGGSJG-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.43
Rot. Bonds3

About 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid

1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid (PubChem CID 75514798) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
PubChem CID75514798
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCCC(n2cc(C(=O)O)cn2)C1
InChIInChI=1S/C15H17N3O3S/c1-10-4-6-22-13(10)14(19)17-5-2-3-12(9-17)18-8-11(7-16-18)15(20)21/h4,6-8,12H,2-3,5,9H2,1H3,(H,20,21)
InChIKeyZXQYXQNLIGGSJG-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-1-(3-methylfuran-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97332238
1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166193415
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 91892103
1-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 102561011
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 86814563
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
1-[(3R)-1-[3-(5-methylfuran-2-yl)propanoyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252992
[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 42532820
ethyl 1-[(3S)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
CID 97150054
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
(3-methylthiophen-2-yl)-[(3R)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757537

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid (CID 75514798) is 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid is Cc1ccsc1C(=O)N1CCCC(n2cc(C(=O)O)cn2)C1.
What is the InChIKey of 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The InChIKey is ZXQYXQNLIGGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-4-6-22-13(10)14(19)17-5-2-3-12(9-17)18-8-11(7-16-18)15(20)21/h4,6-8,12H,2-3,5,9H2,1H3,(H,20,21).
What are the key properties of 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid has a molecular weight of 319.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 75514798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).