methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate

C14H25N5O2 — CID 102808410

IUPACmethyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(N2CCN(C)CC2)nn(C(C)(C)C)c1N
InChIInChI=1S/C14H25N5O2/c1-14(2,3)19-11(15)10(13(20)21-5)12(16-19)18-8-6-17(4)7-9-18/h6-9,15H2,1-5H3
InChIKeyWVGANNSSWKFFMX-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.76
Rot. Bonds2

About methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate

methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate (PubChem CID 102808410) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate
PubChem CID102808410
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Namemethyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(N2CCN(C)CC2)nn(C(C)(C)C)c1N
InChIInChI=1S/C14H25N5O2/c1-14(2,3)19-11(15)10(13(20)21-5)12(16-19)18-8-6-17(4)7-9-18/h6-9,15H2,1-5H3
InChIKeyWVGANNSSWKFFMX-UHFFFAOYSA-N
XLogP0.76
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
CID 102825662
methyl 5-amino-1-tert-butyl-3-(cyclohexylamino)pyrazole-4-carboxylate
CID 102808403
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
methyl 5-amino-1-[4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxylate
CID 94939028
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
methyl 4-amino-5-carbamoyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxylate
CID 103419338
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
methyl 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 102808461
methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate
CID 102808709
methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate
CID 102808521
methyl 6-(4-methylpiperazin-1-yl)-5-nitropyridine-2-carboxylate
CID 114403379
methyl 5-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
CID 102808206

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate (CID 102808410) is methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate is COC(=O)c1c(N2CCN(C)CC2)nn(C(C)(C)C)c1N.
What is the InChIKey of methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate?
The InChIKey is WVGANNSSWKFFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-14(2,3)19-11(15)10(13(20)21-5)12(16-19)18-8-6-17(4)7-9-18/h6-9,15H2,1-5H3.
What are the key properties of methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate?
methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate has a molecular weight of 295.39 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 102808410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).