1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid

C15H17ClN4O3S — CID 122091976

IUPAC1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H17ClN4O3S/c1-19-13(7-10(18-19)11-4-5-12(16)24-11)17-15(23)20-6-2-3-9(8-20)14(21)22/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,23)(H,21,22)
InChIKeyWOXNLXYXXLNNHF-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.13
Rot. Bonds3

About 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122091976) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122091976
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H17ClN4O3S/c1-19-13(7-10(18-19)11-4-5-12(16)24-11)17-15(23)20-6-2-3-9(8-20)14(21)22/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,23)(H,21,22)
InChIKeyWOXNLXYXXLNNHF-UHFFFAOYSA-N
XLogP3.13
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091979
3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82293487
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
(3R)-1-[(2,6-dichloro-3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81127901
(3R)-1-[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 129397533
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079257
1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103079
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
1-[(1-benzyl-3-tert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122075393
1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 43355906
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122091976) is 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid is Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is WOXNLXYXXLNNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c1-19-13(7-10(18-19)11-4-5-12(16)24-11)17-15(23)20-6-2-3-9(8-20)14(21)22/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,23)(H,21,22).
What are the key properties of 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 368.85 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122091976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).