ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

C19H22N4O2 — CID 977742

IUPACethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1N
InChIInChI=1S/C19H22N4O2/c1-5-25-18(24)14-11-21-16-10-15(22-23(16)17(14)20)12-6-8-13(9-7-12)19(2,3)4/h6-11H,5,20H2,1-4H3
InChIKeyQDCFAVGZLAOJBQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.45
Rot. Bonds3

About ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 977742) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID977742
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Nameethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1N
InChIInChI=1S/C19H22N4O2/c1-5-25-18(24)14-11-21-16-10-15(22-23(16)17(14)20)12-6-8-13(9-7-12)19(2,3)4/h6-11H,5,20H2,1-4H3
InChIKeyQDCFAVGZLAOJBQ-UHFFFAOYSA-N
XLogP3.45
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 649053
CU-CPT-8m
CID 15042086
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
Ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 1111210
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
Pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969301
Ethyl 3-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1003221
Ethyl 5-amino-1-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 1988334
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(2-(5-phenylpyrimidin-2-yl)hydrazinyl)pyrimidine-5-carboxylate
CID 1994456
Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 977742) is ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1N.
What is the InChIKey of ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is QDCFAVGZLAOJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-5-25-18(24)14-11-21-16-10-15(22-23(16)17(14)20)12-6-8-13(9-7-12)19(2,3)4/h6-11H,5,20H2,1-4H3.
What are the key properties of ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 977742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).