methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate

C12H13N5O4 — CID 107346354

IUPACmethyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(-n2cc(N)c(C(=O)OC)n2)n1
InChIInChI=1S/C12H13N5O4/c1-6-4-8(15-10(14-6)12(19)21-3)17-5-7(13)9(16-17)11(18)20-2/h4-5H,13H2,1-3H3
InChIKeyNXJFOUWVLBBDPO-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.13
Rot. Bonds3

About methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate

methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate (PubChem CID 107346354) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate
PubChem CID107346354
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Namemethyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(-n2cc(N)c(C(=O)OC)n2)n1
InChIInChI=1S/C12H13N5O4/c1-6-4-8(15-10(14-6)12(19)21-3)17-5-7(13)9(16-17)11(18)20-2/h4-5H,13H2,1-3H3
InChIKeyNXJFOUWVLBBDPO-UHFFFAOYSA-N
XLogP0.13
TPSA122.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
CID 107346189
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 4-methyl-6-(1,2,4-triazol-1-yl)pyrimidine-2-carboxylate
CID 66285952
4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 107346079
methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346339
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221
methyl 4-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyrimidine-2-carboxylate
CID 66285924
methyl 4-amino-1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylate
CID 107346288
methyl 4-amino-1-(4-methylphthalazin-1-yl)pyrazole-3-carboxylate
CID 107346184
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate (CID 107346354) is methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(-n2cc(N)c(C(=O)OC)n2)n1.
What is the InChIKey of methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate?
The InChIKey is NXJFOUWVLBBDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-6-4-8(15-10(14-6)12(19)21-3)17-5-7(13)9(16-17)11(18)20-2/h4-5H,13H2,1-3H3.
What are the key properties of methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate?
methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate has a molecular weight of 291.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 107346354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).