methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate

C10H11N5O2 — CID 107346189

IUPACmethyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2cc(C)ncn2)cc1N
InChIInChI=1S/C10H11N5O2/c1-6-3-8(13-5-12-6)15-4-7(11)9(14-15)10(16)17-2/h3-5H,11H2,1-2H3
InChIKeyLZNCCTDGSNXCFL-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.34
Rot. Bonds2

About methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate

methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate (PubChem CID 107346189) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
PubChem CID107346189
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Namemethyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2cc(C)ncn2)cc1N
InChIInChI=1S/C10H11N5O2/c1-6-3-8(13-5-12-6)15-4-7(11)9(14-15)10(16)17-2/h3-5H,11H2,1-2H3
InChIKeyLZNCCTDGSNXCFL-UHFFFAOYSA-N
XLogP0.34
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate
CID 107346354
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346339
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate
CID 107346238
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221
methyl 4-amino-1-(4-methylphthalazin-1-yl)pyrazole-3-carboxylate
CID 107346184
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 107346079
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate
CID 107346260

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate (CID 107346189) is methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2cc(C)ncn2)cc1N.
What is the InChIKey of methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate?
The InChIKey is LZNCCTDGSNXCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6-3-8(13-5-12-6)15-4-7(11)9(14-15)10(16)17-2/h3-5H,11H2,1-2H3.
What are the key properties of methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate?
methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).