1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid

C11H15N3O3 — CID 146636792

IUPAC1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid
SMILESC[C@H]1CCCCN1C(=O)n1ccc(C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-8-4-2-3-6-13(8)11(17)14-7-5-9(12-14)10(15)16/h5,7-8H,2-4,6H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyHJQWWKRKVKDRQR-QMMMGPOBSA-N
MW237.26 g/mol
LogP1.42
Rot. Bonds1

About 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid

1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid (PubChem CID 146636792) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid
PubChem CID146636792
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid
SMILESC[C@H]1CCCCN1C(=O)n1ccc(C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-8-4-2-3-6-13(8)11(17)14-7-5-9(12-14)10(15)16/h5,7-8H,2-4,6H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyHJQWWKRKVKDRQR-QMMMGPOBSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
1-[4-[[4-methyl-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 161243664
1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310630
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
CID 64748929
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 51145418
1-[(2R)-4-[[3-(4-fluorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 135384372
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
N-benzhydryl-2-methylpiperidine-1-carboxamide
CID 108867475

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid (CID 146636792) is 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid is C[C@H]1CCCCN1C(=O)n1ccc(C(=O)O)n1.
What is the InChIKey of 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid?
The InChIKey is HJQWWKRKVKDRQR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-4-2-3-6-13(8)11(17)14-7-5-9(12-14)10(15)16/h5,7-8H,2-4,6H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid?
1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpiperidine-1-carbonyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 146636792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).