1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid

C13H21N3O3 — CID 65467124

IUPAC1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(OCC2CCCCN2C)c1C(=O)O
InChIInChI=1S/C13H21N3O3/c1-9-11(13(17)18)12(16(3)14-9)19-8-10-6-4-5-7-15(10)2/h10H,4-8H2,1-3H3,(H,17,18)
InChIKeyJHYOJFGVPSICDX-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.29
Rot. Bonds4

About 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid

1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid (PubChem CID 65467124) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
PubChem CID65467124
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(OCC2CCCCN2C)c1C(=O)O
InChIInChI=1S/C13H21N3O3/c1-9-11(13(17)18)12(16(3)14-9)19-8-10-6-4-5-7-15(10)2/h10H,4-8H2,1-3H3,(H,17,18)
InChIKeyJHYOJFGVPSICDX-UHFFFAOYSA-N
XLogP1.29
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazole-4-carboxylic acid
CID 55243865
N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide
CID 77067948
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
CID 65469620
5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazole-4-carboxylic acid
CID 103407005
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
CID 107554961
4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
[1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazol-4-yl]methanamine
CID 55241142
5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid
CID 65472829
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
CID 65472831
4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid
CID 166870743

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid (CID 65467124) is 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid is Cc1nn(C)c(OCC2CCCCN2C)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid?
The InChIKey is JHYOJFGVPSICDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-11(13(17)18)12(16(3)14-9)19-8-10-6-4-5-7-15(10)2/h10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid?
1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid is sourced from PubChem (CID 65467124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).