ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

C19H20FN3O2 — CID 42877159

IUPACethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C19H20FN3O2/c1-5-25-18(24)15-10-14(12-6-8-13(20)9-7-12)21-17-11-16(19(2,3)4)22-23(15)17/h6-11H,5H2,1-4H3
InChIKeyPDUNVKJONREYMN-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.01
Rot. Bonds3

About ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 42877159) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID42877159
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Nameethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C19H20FN3O2/c1-5-25-18(24)15-10-14(12-6-8-13(20)9-7-12)21-17-11-16(19(2,3)4)22-23(15)17/h6-11H,5H2,1-4H3
InChIKeyPDUNVKJONREYMN-UHFFFAOYSA-N
XLogP4.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-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 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
[2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 46079869
2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877392
N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877528
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079914
methyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759675
N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 118175250
ethyl 1-[2-tert-butyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 46079504
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 4083925
ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1221802
1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone
CID 46079833
ethyl 5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 163364011

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 42877159) is ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)nc2cc(C(C)(C)C)nn12.
What is the InChIKey of ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is PDUNVKJONREYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-5-25-18(24)15-10-14(12-6-8-13(20)9-7-12)21-17-11-16(19(2,3)4)22-23(15)17/h6-11H,5H2,1-4H3.
What are the key properties of ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 42877159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).