methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate

C10H11N5O2 — CID 23055477

IUPACmethyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(N)n[nH]c1-c1nccc(C)n1
InChIInChI=1S/C10H11N5O2/c1-5-3-4-12-9(13-5)7-6(10(16)17-2)8(11)15-14-7/h3-4H,1-2H3,(H3,11,14,15)
InChIKeyZIZSEXQUCQWJGI-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.54
Rot. Bonds2

About methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate

methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate (PubChem CID 23055477) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate
PubChem CID23055477
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Namemethyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(N)n[nH]c1-c1nccc(C)n1
InChIInChI=1S/C10H11N5O2/c1-5-3-4-12-9(13-5)7-6(10(16)17-2)8(11)15-14-7/h3-4H,1-2H3,(H3,11,14,15)
InChIKeyZIZSEXQUCQWJGI-UHFFFAOYSA-N
XLogP0.54
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate (CID 23055477) is methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate is COC(=O)c1c(N)n[nH]c1-c1nccc(C)n1.
What is the InChIKey of methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate?
The InChIKey is ZIZSEXQUCQWJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-5-3-4-12-9(13-5)7-6(10(16)17-2)8(11)15-14-7/h3-4H,1-2H3,(H3,11,14,15).
What are the key properties of methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate?
methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 23055477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).