ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C20H22N4O3 — CID 3520818

IUPACethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C(=O)Nc3ccc(C)c(C)c3)nn2c1C
InChIInChI=1S/C20H22N4O3/c1-6-27-20(26)18-13(4)21-17-10-16(23-24(17)14(18)5)19(25)22-15-8-7-11(2)12(3)9-15/h7-10H,6H2,1-5H3,(H,22,25)
InChIKeyJYEONWWZAMROPN-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.39
Rot. Bonds4

About ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 3520818) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID3520818
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Nameethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C(=O)Nc3ccc(C)c(C)c3)nn2c1C
InChIInChI=1S/C20H22N4O3/c1-6-27-20(26)18-13(4)21-17-10-16(23-24(17)14(18)5)19(25)22-15-8-7-11(2)12(3)9-15/h7-10H,6H2,1-5H3,(H,22,25)
InChIKeyJYEONWWZAMROPN-UHFFFAOYSA-N
XLogP3.39
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 843011
7-(difluoromethyl)-N-(3,4-dimethylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166091727
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315091
N-(3,4-dimethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705287
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2243169
5-(4-bromophenyl)-N-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1220675
6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-(3,4-dimethylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109198092
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 3520818) is ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1c(C)nc2cc(C(=O)Nc3ccc(C)c(C)c3)nn2c1C.
What is the InChIKey of ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is JYEONWWZAMROPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-6-27-20(26)18-13(4)21-17-10-16(23-24(17)14(18)5)19(25)22-15-8-7-11(2)12(3)9-15/h7-10H,6H2,1-5H3,(H,22,25).
What are the key properties of ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dimethylphenyl)carbamoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3520818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).