5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid

C14H24N4O2 — CID 116631025

IUPAC5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN1CCC(CNCc2c(C(=O)O)cnn2C)CC1
InChIInChI=1S/C14H24N4O2/c1-3-18-6-4-11(5-7-18)8-15-10-13-12(14(19)20)9-16-17(13)2/h9,11,15H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyGBNOAUXSYUYYCJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.94
Rot. Bonds6

About 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid

5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 116631025) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID116631025
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN1CCC(CNCc2c(C(=O)O)cnn2C)CC1
InChIInChI=1S/C14H24N4O2/c1-3-18-6-4-11(5-7-18)8-15-10-13-12(14(19)20)9-16-17(13)2/h9,11,15H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyGBNOAUXSYUYYCJ-UHFFFAOYSA-N
XLogP0.94
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[2-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631322
5-[(2-cyclohexylethylamino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630859
1-methyl-5-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]pyrazole-4-carboxylic acid
CID 116632363
5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330664
1-methyl-5-[(3-propoxypropylamino)methyl]pyrazole-4-carboxylic acid
CID 116631470
1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116630994
5-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631342
5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631019
1-methyl-5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyrazole-4-carboxylic acid
CID 116630821
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631627
1-methyl-5-[(3-morpholin-4-ylpropylamino)methyl]pyrazole-4-carboxylic acid
CID 116630761
5-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 107230995

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid (CID 116631025) is 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid is CCN1CCC(CNCc2c(C(=O)O)cnn2C)CC1.
What is the InChIKey of 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is GBNOAUXSYUYYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-18-6-4-11(5-7-18)8-15-10-13-12(14(19)20)9-16-17(13)2/h9,11,15H,3-8,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid?
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 116631025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).