methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate

C15H20N4O2 — CID 102809021

IUPACmethyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate
SMILESCNc1nn(-c2c(C)cc(C)cc2C)c(N)c1C(=O)OC
InChIInChI=1S/C15H20N4O2/c1-8-6-9(2)12(10(3)7-8)19-13(16)11(15(20)21-5)14(17-4)18-19/h6-7H,16H2,1-5H3,(H,17,18)
InChIKeyVRMCFTGVYFCGPQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds3

About methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate

methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate (PubChem CID 102809021) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate
PubChem CID102809021
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate
SMILESCNc1nn(-c2c(C)cc(C)cc2C)c(N)c1C(=O)OC
InChIInChI=1S/C15H20N4O2/c1-8-6-9(2)12(10(3)7-8)19-13(16)11(15(20)21-5)14(17-4)18-19/h6-7H,16H2,1-5H3,(H,17,18)
InChIKeyVRMCFTGVYFCGPQ-UHFFFAOYSA-N
XLogP2.21
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(4-bromophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102808968
methyl 5-amino-1-(2-bromophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102808592
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102809174
methyl 5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate
CID 55120572
methyl 4-bromo-5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate
CID 62795457
methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102808420
methyl 5-amino-1-butan-2-yl-3-(methylamino)pyrazole-4-carboxylate
CID 102808854
methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 23792485
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate
CID 102808304
methyl 5-amino-3-(cyclobutylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808565
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate (CID 102809021) is methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate is CNc1nn(-c2c(C)cc(C)cc2C)c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate?
The InChIKey is VRMCFTGVYFCGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-8-6-9(2)12(10(3)7-8)19-13(16)11(15(20)21-5)14(17-4)18-19/h6-7H,16H2,1-5H3,(H,17,18).
What are the key properties of methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate?
methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 102809021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).