(7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine

C23H19N3O — CID 2027781

IUPAC(7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)NC(c1ccco1)=C[C@H]2c1ccccc1
InChIInChI=1S/C23H19N3O/c1-16-22(18-11-6-3-7-12-18)23-24-19(21-13-8-14-27-21)15-20(26(23)25-16)17-9-4-2-5-10-17/h2-15,20,24H,1H3/t20-/m0/s1
InChIKeyKJCFVZAPIHABGF-FQEVSTJZSA-N
MW353.43 g/mol
LogP5.51
Rot. Bonds3

About (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine

(7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 2027781) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID2027781
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name(7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)NC(c1ccco1)=C[C@H]2c1ccccc1
InChIInChI=1S/C23H19N3O/c1-16-22(18-11-6-3-7-12-18)23-24-19(21-13-8-14-27-21)15-20(26(23)25-16)17-9-4-2-5-10-17/h2-15,20,24H,1H3/t20-/m0/s1
InChIKeyKJCFVZAPIHABGF-FQEVSTJZSA-N
XLogP5.51
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 2027781) is (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1)NC(c1ccco1)=C[C@H]2c1ccccc1.
What is the InChIKey of (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is KJCFVZAPIHABGF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-22(18-11-6-3-7-12-18)23-24-19(21-13-8-14-27-21)15-20(26(23)25-16)17-9-4-2-5-10-17/h2-15,20,24H,1H3/t20-/m0/s1.
What are the key properties of (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
(7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 353.43 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2027781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).