3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate

C13H15N4O2- — CID 59746328

IUPAC3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)[O-])cc23)CC1
InChIInChI=1S/C13H16N4O2/c1-16-4-6-17(7-5-16)12-10-8-9(13(18)19)2-3-11(10)14-15-12/h2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19)/p-1
InChIKeyAIKBZHWRCXDCRA-UHFFFAOYSA-M
MW259.29 g/mol
LogP-0.32
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate

3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate (PubChem CID 59746328) has the molecular formula C13H15N4O2- and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate
PubChem CID59746328
Molecular FormulaC13H15N4O2-
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)[O-])cc23)CC1
InChIInChI=1S/C13H16N4O2/c1-16-4-6-17(7-5-16)12-10-8-9(13(18)19)2-3-11(10)14-15-12/h2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19)/p-1
InChIKeyAIKBZHWRCXDCRA-UHFFFAOYSA-M
XLogP-0.32
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)amino]benzoate
CID 134142067
methyl 3-amino-1H-indazole-5-carboxylate
CID 84663082
N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175055
N-[5-[(3,5-difluorophenyl)-methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175226
3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid
CID 122584439
N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 142792184
3-(2,2,2-trifluoroacetamido)-1H-indazole-5-carboxylic acid
CID 167740322
ethyl 3-[amino(ethoxycarbonyl)amino]-1H-indazole-5-carboxylate
CID 21390908
1-Methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylic acid
CID 57444019
3-(4-Methyl-piperazin-1-yl)-1H-indazole-6-carboxylic acid methyl ester
CID 57444024
3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
CID 57444025
3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylic acid
CID 57444026

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate (CID 59746328) is 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate is CN1CCN(c2n[nH]c3ccc(C(=O)[O-])cc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate?
The InChIKey is AIKBZHWRCXDCRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N4O2/c1-16-4-6-17(7-5-16)12-10-8-9(13(18)19)2-3-11(10)14-15-12/h2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19)/p-1.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate?
3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate has a molecular weight of 259.29 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate is sourced from PubChem (CID 59746328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).