(7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C23H24FN3O2 — CID 26182259

IUPAC(7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@H]2c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H24FN3O2/c1-5-18-22(15-6-9-17(24)10-7-15)23-25-14(2)12-19(27(23)26-18)16-8-11-20(28-3)21(13-16)29-4/h6-11,13,19H,5,12H2,1-4H3/t19-/m0/s1
InChIKeyNUYAQFWOARZZFM-IBGZPJMESA-N
MW393.46 g/mol
LogP5.35
Rot. Bonds5

About (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

(7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 26182259) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID26182259
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@H]2c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H24FN3O2/c1-5-18-22(15-6-9-17(24)10-7-15)23-25-14(2)12-19(27(23)26-18)16-8-11-20(28-3)21(13-16)29-4/h6-11,13,19H,5,12H2,1-4H3/t19-/m0/s1
InChIKeyNUYAQFWOARZZFM-IBGZPJMESA-N
XLogP5.35
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 26182259) is (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is CCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@H]2c1ccc(OC)c(OC)c1.
What is the InChIKey of (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is NUYAQFWOARZZFM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-5-18-22(15-6-9-17(24)10-7-15)23-25-14(2)12-19(27(23)26-18)16-8-11-20(28-3)21(13-16)29-4/h6-11,13,19H,5,12H2,1-4H3/t19-/m0/s1.
What are the key properties of (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
(7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 393.46 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3,4-dimethoxyphenyl)-2-ethyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 26182259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).