methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate

C15H18N4O2 — CID 102808304

IUPACmethyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CC2)nn(-c2ccccc2C)c1N
InChIInChI=1S/C15H18N4O2/c1-9-5-3-4-6-11(9)19-13(16)12(15(20)21-2)14(18-19)17-10-7-8-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyXBILINQCBXVHOQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.12
Rot. Bonds4

About methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate

methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate (PubChem CID 102808304) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate
PubChem CID102808304
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Namemethyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CC2)nn(-c2ccccc2C)c1N
InChIInChI=1S/C15H18N4O2/c1-9-5-3-4-6-11(9)19-13(16)12(15(20)21-2)14(18-19)17-10-7-8-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyXBILINQCBXVHOQ-UHFFFAOYSA-N
XLogP2.12
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-3-(cyclobutylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808565
methyl 5-amino-1-(2-bromophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102808592
methyl 5-amino-3-(ethylamino)-1-(2-fluorophenyl)pyrazole-4-carboxylate
CID 102808285
methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
CID 102809010
methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102808420
methyl 5-amino-1-tert-butyl-3-(cyclohexylamino)pyrazole-4-carboxylate
CID 102808403
methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808980
methyl 5-amino-3-(azetidin-3-ylamino)-1-pyrazin-2-ylpyrazole-4-carboxylate
CID 102809208
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113
methyl 5-amino-1-ethyl-3-(piperidin-4-ylamino)pyrazole-4-carboxylate
CID 102808675
methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808982
methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate
CID 102809021

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate (CID 102808304) is methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate is COC(=O)c1c(NC2CC2)nn(-c2ccccc2C)c1N.
What is the InChIKey of methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate?
The InChIKey is XBILINQCBXVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-5-3-4-6-11(9)19-13(16)12(15(20)21-2)14(18-19)17-10-7-8-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate?
methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 102808304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).