1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid

C11H18N4O2 — CID 104891476

IUPAC1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid
SMILESC[C@@H]1CNCCN1Cc1c(C(=O)O)cnn1C
InChIInChI=1S/C11H18N4O2/c1-8-5-12-3-4-15(8)7-10-9(11(16)17)6-13-14(10)2/h6,8,12H,3-5,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyQBHXWAYGXJYYSW-MRVPVSSYSA-N
MW238.29 g/mol
LogP-0.09
Rot. Bonds3

About 1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid

1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid (PubChem CID 104891476) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid
PubChem CID104891476
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid
SMILESC[C@@H]1CNCCN1Cc1c(C(=O)O)cnn1C
InChIInChI=1S/C11H18N4O2/c1-8-5-12-3-4-15(8)7-10-9(11(16)17)6-13-14(10)2/h6,8,12H,3-5,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyQBHXWAYGXJYYSW-MRVPVSSYSA-N
XLogP-0.09
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632032
1-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyrazole-4-carboxylic acid
CID 114593998
(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
CID 130591920
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
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
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
1-methyl-5-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]pyrazole-4-carboxylic acid
CID 116632480
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-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632376
1-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-4-carboxylic acid
CID 116630146
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-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid (CID 104891476) is 1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid is C[C@@H]1CNCCN1Cc1c(C(=O)O)cnn1C.
What is the InChIKey of 1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is QBHXWAYGXJYYSW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-5-12-3-4-15(8)7-10-9(11(16)17)6-13-14(10)2/h6,8,12H,3-5,7H2,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 104891476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).