ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate

C13H16N4O2 — CID 11414291

IUPACethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C13H16N4O2/c1-5-19-12(18)11-7-14-13(15-10(11)4)17-9(3)6-8(2)16-17/h6-7H,5H2,1-4H3
InChIKeyQCRIJMFOMJTHNZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.76
Rot. Bonds3

About ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate

ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate (PubChem CID 11414291) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate
PubChem CID11414291
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C13H16N4O2/c1-5-19-12(18)11-7-14-13(15-10(11)4)17-9(3)6-8(2)16-17/h6-7H,5H2,1-4H3
InChIKeyQCRIJMFOMJTHNZ-UHFFFAOYSA-N
XLogP1.76
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-(cyclopentylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 931812
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]pyrimidine-5-carboxylate
CID 1980481
4-(Cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester
CID 662276
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
CID 663171
Ethyl 4-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 663249
Ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736420
2-(3,5-Dimethylpyrazol-1-yl)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]oxazepin-5-one
CID 936962
2-(3,5-Dimethylpyrazol-1-yl)-9-(2-hydroxyethyl)-7,8-dihydropyrimido[4,5-e][1,4]oxazepin-5-one
CID 938485
Ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 662721
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-hydroxyethyl)amino)pyrimidine-5-carboxylate
CID 2048125
2-(3,5-Dimethyl-1-pyrazolyl)-4-(4-morpholinyl)-5-pyrimidinecarboxylic acid ethyl ester
CID 662981
ethyl 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate
CID 692270

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate (CID 11414291) is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1C.
What is the InChIKey of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate?
The InChIKey is QCRIJMFOMJTHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-5-19-12(18)11-7-14-13(15-10(11)4)17-9(3)6-8(2)16-17/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 11414291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).