ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C23H24N6O2 — CID 162686238

IUPACethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2c(-c3cn[nH]c3)cc(N3Cc4ccccc4C3)nc2c1C(C)C
InChIInChI=1S/C23H24N6O2/c1-4-31-23(30)21-20(14(2)3)22-26-19(28-12-15-7-5-6-8-16(15)13-28)9-18(29(22)27-21)17-10-24-25-11-17/h5-11,14H,4,12-13H2,1-3H3,(H,24,25)
InChIKeyCNBBHXPHGCWQFW-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.94
Rot. Bonds5

About ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 162686238) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID162686238
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Nameethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2c(-c3cn[nH]c3)cc(N3Cc4ccccc4C3)nc2c1C(C)C
InChIInChI=1S/C23H24N6O2/c1-4-31-23(30)21-20(14(2)3)22-26-19(28-12-15-7-5-6-8-16(15)13-28)9-18(29(22)27-21)17-10-24-25-11-17/h5-11,14H,4,12-13H2,1-3H3,(H,24,25)
InChIKeyCNBBHXPHGCWQFW-UHFFFAOYSA-N
XLogP3.94
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate with MolForge

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Related Compounds

1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one
CID 170419933
5-(1,3-dihydroisoindol-2-yl)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175938229
N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686012
3-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(1,3-dihydroisoindol-2-yl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175938189
5-(5-chloro-1,3-dihydroisoindol-2-yl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanamine;phenol
CID 162686239
N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(1,3-dihydroisoindol-2-yl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686043
ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 171835145
ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 162686047
2-(1,3-dihydroisoindol-2-yl)-9-(1-ethoxyethenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 171520368
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
5-ethoxycarbonyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 34179423
5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686151

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 162686238) is ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1nn2c(-c3cn[nH]c3)cc(N3Cc4ccccc4C3)nc2c1C(C)C.
What is the InChIKey of ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is CNBBHXPHGCWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-4-31-23(30)21-20(14(2)3)22-26-19(28-12-15-7-5-6-8-16(15)13-28)9-18(29(22)27-21)17-10-24-25-11-17/h5-11,14H,4,12-13H2,1-3H3,(H,24,25).
What are the key properties of ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 416.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 162686238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).