6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid

C12H18ClN3O2 — CID 113470527

IUPAC6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1nn(C)c(Cl)c1CC1CCCC(C(=O)O)N1
InChIInChI=1S/C12H18ClN3O2/c1-7-9(11(13)16(2)15-7)6-8-4-3-5-10(14-8)12(17)18/h8,10,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyDCRDLZUWWICATA-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.52
Rot. Bonds3

About 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid

6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 113470527) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid
PubChem CID113470527
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1nn(C)c(Cl)c1CC1CCCC(C(=O)O)N1
InChIInChI=1S/C12H18ClN3O2/c1-7-9(11(13)16(2)15-7)6-8-4-3-5-10(14-8)12(17)18/h8,10,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyDCRDLZUWWICATA-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 115930088
5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 112574806
N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine
CID 113470802
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744710
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol
CID 115832460
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine
CID 113470030
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105128124
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80516405
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 62027451
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(cyclopropylamino)butan-2-one
CID 116559311
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid (CID 113470527) is 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid is Cc1nn(C)c(Cl)c1CC1CCCC(C(=O)O)N1.
What is the InChIKey of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is DCRDLZUWWICATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-7-9(11(13)16(2)15-7)6-8-4-3-5-10(14-8)12(17)18/h8,10,14H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid?
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 271.75 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 113470527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).