4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid

C15H24N4O3 — CID 154998873

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid
SMILESCN1CCN(Cc2cn(C3CCCCO3)nc2C(=O)O)CC1
InChIInChI=1S/C15H24N4O3/c1-17-5-7-18(8-6-17)10-12-11-19(16-14(12)15(20)21)13-4-2-3-9-22-13/h11,13H,2-10H2,1H3,(H,20,21)
InChIKeyTXNDOTUAZAPVLJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.03
Rot. Bonds4

About 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid

4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid (PubChem CID 154998873) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid
PubChem CID154998873
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid
SMILESCN1CCN(Cc2cn(C3CCCCO3)nc2C(=O)O)CC1
InChIInChI=1S/C15H24N4O3/c1-17-5-7-18(8-6-17)10-12-11-19(16-14(12)15(20)21)13-4-2-3-9-22-13/h11,13H,2-10H2,1H3,(H,20,21)
InChIKeyTXNDOTUAZAPVLJ-UHFFFAOYSA-N
XLogP1.03
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[(2S)-oxan-2-yl]pyrazole-4-carboxylic acid
CID 129390500
ethyl 1-(oxan-2-yl)-4-(trifluoromethyl)pyrazole-3-carboxylate
CID 156901509
4-[[[4-(hydroxymethyl)-2-methoxyphenyl]methyl-(morpholine-4-carbonyl)amino]methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid
CID 70894199
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
methyl 4-acetamido-1-(oxan-2-yl)pyrazole-3-carboxylate
CID 167451213
2-[[3-(4-hydroxycyclohexyl)-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 175785132
2-[2-[3-iodo-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethyl-methylcarbamic acid
CID 90461090
[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136568086
3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 23145848
N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide
CID 129210554
1-[5-bromo-2-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-yl]ethanone
CID 174334366
5-ethyl-4-formyl-1-(oxan-2-yl)pyrazole-3-carboxylic acid
CID 121484887

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid (CID 154998873) is 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid is CN1CCN(Cc2cn(C3CCCCO3)nc2C(=O)O)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is TXNDOTUAZAPVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-17-5-7-18(8-6-17)10-12-11-19(16-14(12)15(20)21)13-4-2-3-9-22-13/h11,13H,2-10H2,1H3,(H,20,21).
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid?
4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 154998873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).