1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid

C13H20ClN3O2 — CID 106744710

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCc1nn(C)c(Cl)c1CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H20ClN3O2/c1-8-6-10(13(18)19)4-5-17(8)7-11-9(2)15-16(3)12(11)14/h8,10H,4-7H2,1-3H3,(H,18,19)
InChIKeyCDUIYYBZHONMKY-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.07
Rot. Bonds3

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744710) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744710
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCc1nn(C)c(Cl)c1CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H20ClN3O2/c1-8-6-10(13(18)19)4-5-17(8)7-11-9(2)15-16(3)12(11)14/h8,10H,4-7H2,1-3H3,(H,18,19)
InChIKeyCDUIYYBZHONMKY-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid (CID 106744710) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid is Cc1nn(C)c(Cl)c1CN1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is CDUIYYBZHONMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8-6-10(13(18)19)4-5-17(8)7-11-9(2)15-16(3)12(11)14/h8,10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 285.77 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).