ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

C21H19N3O2 — CID 137150805

IUPACethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=CNc2c(-c3ccccc3)cnn2[C@H]1c1ccccc1
InChIInChI=1S/C21H19N3O2/c1-2-26-21(25)18-13-22-20-17(15-9-5-3-6-10-15)14-23-24(20)19(18)16-11-7-4-8-12-16/h3-14,19,22H,2H2,1H3/t19-/m0/s1
InChIKeyJKFVTHRYDMVTAW-IBGZPJMESA-N
MW345.40 g/mol
LogP4.01
Rot. Bonds4

About ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 137150805) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID137150805
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Nameethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=CNc2c(-c3ccccc3)cnn2[C@H]1c1ccccc1
InChIInChI=1S/C21H19N3O2/c1-2-26-21(25)18-13-22-20-17(15-9-5-3-6-10-15)14-23-24(20)19(18)16-11-7-4-8-12-16/h3-14,19,22H,2H2,1H3/t19-/m0/s1
InChIKeyJKFVTHRYDMVTAW-IBGZPJMESA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-cyano-5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135558656
ethyl (7S)-5,7-diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 693619
ethyl 6,6-dimethyl-8-oxo-9-phenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxylate
CID 137234501
ethyl 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2914581
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
CID 2763622
ethyl (7R)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 693432
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 16738818
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate
CID 10691005
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815

Frequently Asked Questions

What is the IUPAC name of ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 137150805) is ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)C1=CNc2c(-c3ccccc3)cnn2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is JKFVTHRYDMVTAW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-26-21(25)18-13-22-20-17(15-9-5-3-6-10-15)14-23-24(20)19(18)16-11-7-4-8-12-16/h3-14,19,22H,2H2,1H3/t19-/m0/s1.
What are the key properties of ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7S)-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 137150805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).