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

C17H20N6O2 — CID 663302

IUPACethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1-n1nc(C)cc1C
InChIInChI=1S/C17H20N6O2/c1-6-25-16(24)14-9-18-17(23-13(5)8-11(3)21-23)19-15(14)22-12(4)7-10(2)20-22/h7-9H,6H2,1-5H3
InChIKeyBNOFLPVFBGRKKO-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.26
Rot. Bonds4

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

ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate (PubChem CID 663302) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
PubChem CID663302
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Nameethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1-n1nc(C)cc1C
InChIInChI=1S/C17H20N6O2/c1-6-25-16(24)14-9-18-17(23-13(5)8-11(3)21-23)19-15(14)22-12(4)7-10(2)20-22/h7-9H,6H2,1-5H3
InChIKeyBNOFLPVFBGRKKO-UHFFFAOYSA-N
XLogP2.26
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-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
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 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1089239
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 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate (CID 663302) is ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1-n1nc(C)cc1C.
What is the InChIKey of ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
The InChIKey is BNOFLPVFBGRKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-6-25-16(24)14-9-18-17(23-13(5)8-11(3)21-23)19-15(14)22-12(4)7-10(2)20-22/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate has a molecular weight of 340.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-bis(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 663302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).