1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid

C14H23N3O2 — CID 114593998

IUPAC1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid
SMILESCC1CC(C)C(C)N(Cc2c(C(=O)O)cnn2C)C1
InChIInChI=1S/C14H23N3O2/c1-9-5-10(2)11(3)17(7-9)8-13-12(14(18)19)6-15-16(13)4/h6,9-11H,5,7-8H2,1-4H3,(H,18,19)
InChIKeyYDPHFOROQLLBLE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.98
Rot. Bonds3

About 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid

1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 114593998) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID114593998
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid
SMILESCC1CC(C)C(C)N(Cc2c(C(=O)O)cnn2C)C1
InChIInChI=1S/C14H23N3O2/c1-9-5-10(2)11(3)17(7-9)8-13-12(14(18)19)6-15-16(13)4/h6,9-11H,5,7-8H2,1-4H3,(H,18,19)
InChIKeyYDPHFOROQLLBLE-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632032
1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid
CID 104891476
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631212
1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 116632235
3-methyl-4-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114597360
5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid
CID 19623713
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114593971
5-[(3-tert-butylpyrrolidin-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632301
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5-[(4-carbamoylpiperidin-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631677
1-methyl-5-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]pyrazole-4-carboxylic acid
CID 116632363
5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630352

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid (CID 114593998) is 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid is CC1CC(C)C(C)N(Cc2c(C(=O)O)cnn2C)C1.
What is the InChIKey of 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is YDPHFOROQLLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-5-10(2)11(3)17(7-9)8-13-12(14(18)19)6-15-16(13)4/h6,9-11H,5,7-8H2,1-4H3,(H,18,19).
What are the key properties of 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 114593998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).