1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid

C10H16N4O2 — CID 83864193

IUPAC1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)n(C)n2)CC1
InChIInChI=1S/C10H16N4O2/c1-12-3-5-14(6-4-12)9-7-8(10(15)16)13(2)11-9/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyKXSOTSUDSAKPME-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.13
Rot. Bonds2

About 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid

1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid (PubChem CID 83864193) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid
PubChem CID83864193
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)n(C)n2)CC1
InChIInChI=1S/C10H16N4O2/c1-12-3-5-14(6-4-12)9-7-8(10(15)16)13(2)11-9/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyKXSOTSUDSAKPME-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid
CID 117102868
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 102545588
3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid
CID 83864166
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
1-methyl-3-(sulfanylmethyl)pyrazole-5-carboxylic acid
CID 117215995
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid
CID 115093232
1-methyl-3-(propan-2-ylsulfonylmethyl)pyrazole-5-carboxylic acid
CID 117215953
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid (CID 83864193) is 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid is CN1CCN(c2cc(C(=O)O)n(C)n2)CC1.
What is the InChIKey of 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid?
The InChIKey is KXSOTSUDSAKPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-12-3-5-14(6-4-12)9-7-8(10(15)16)13(2)11-9/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid?
1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 83864193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).