1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid

C12H17N3O3 — CID 19623821

IUPAC1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid
SMILESCC1CCCCN1C(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-8-5-3-4-6-15(8)11(16)9-7-13-14(2)10(9)12(17)18/h7-8H,3-6H2,1-2H3,(H,17,18)
InChIKeyVJEUEFJCXJYHBP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.13
Rot. Bonds2

About 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid

1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid (PubChem CID 19623821) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid
PubChem CID19623821
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid
SMILESCC1CCCCN1C(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-8-5-3-4-6-15(8)11(16)9-7-13-14(2)10(9)12(17)18/h7-8H,3-6H2,1-2H3,(H,17,18)
InChIKeyVJEUEFJCXJYHBP-UHFFFAOYSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid (CID 19623821) is 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid is CC1CCCCN1C(=O)c1cnn(C)c1C(=O)O.
What is the InChIKey of 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid?
The InChIKey is VJEUEFJCXJYHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-5-3-4-6-15(8)11(16)9-7-13-14(2)10(9)12(17)18/h7-8H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid?
1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 19623821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).