methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate

C12H14N4O3 — CID 90383357

IUPACmethyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2ncnc(OC)c2C)cnn1C
InChIInChI=1S/C12H14N4O3/c1-7-9(13-6-14-11(7)18-3)8-5-15-16(2)10(8)12(17)19-4/h5-6H,1-4H3
InChIKeyGZJLBWDRXAAZHD-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.98
Rot. Bonds3

About methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate

methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate (PubChem CID 90383357) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
PubChem CID90383357
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Namemethyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2ncnc(OC)c2C)cnn1C
InChIInChI=1S/C12H14N4O3/c1-7-9(13-6-14-11(7)18-3)8-5-15-16(2)10(8)12(17)19-4/h5-6H,1-4H3
InChIKeyGZJLBWDRXAAZHD-UHFFFAOYSA-N
XLogP0.98
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
methyl 1-methyl-4-(1,3-thiazol-2-yl)pyrazole-5-carboxylate
CID 90383280
methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate
CID 90383445
methyl 4-[4-(aminomethyl)phenyl]-1-methylpyrazole-5-carboxylate
CID 164928869
methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate
CID 90383512
4-(5-chloropyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 90383362
1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one
CID 66327163
1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid
CID 90383381
methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342092
methyl 4-(3-amino-3-oxoprop-1-enyl)-1-methylpyrazole-5-carboxylate
CID 169482772
methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate
CID 170985573
methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate
CID 138110241

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate (CID 90383357) is methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate is COC(=O)c1c(-c2ncnc(OC)c2C)cnn1C.
What is the InChIKey of methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
The InChIKey is GZJLBWDRXAAZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-9(13-6-14-11(7)18-3)8-5-15-16(2)10(8)12(17)19-4/h5-6H,1-4H3.
What are the key properties of methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 90383357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).