3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C23H18ClN3O — CID 2980926

IUPAC3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)CC2c1ccccc1
InChIInChI=1S/C23H18ClN3O/c1-15-22(17-9-11-18(24)12-10-17)23-25-19(21-8-5-13-28-21)14-20(27(23)26-15)16-6-3-2-4-7-16/h2-13,20H,14H2,1H3
InChIKeyOLANKQQHIMCNCM-UHFFFAOYSA-N
MW387.87 g/mol
LogP6.22
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 2980926) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID2980926
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)CC2c1ccccc1
InChIInChI=1S/C23H18ClN3O/c1-15-22(17-9-11-18(24)12-10-17)23-25-19(21-8-5-13-28-21)14-20(27(23)26-15)16-6-3-2-4-7-16/h2-13,20H,14H2,1H3
InChIKeyOLANKQQHIMCNCM-UHFFFAOYSA-N
XLogP6.22
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 666158
5-amino-3-[(Z)-2-[5-(4-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 2856583
(4-Chlorophenyl)-[4-(2-furyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone
CID 376859
3-(4-Fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17067730
(7R)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 27493261
(7S)-3-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 27493263
4-(2-Chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 43158531
4-(4-Fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine
CID 43158634
4-(2-Chloro-6-fluorophenyl)-3-(furan-2-yl)-1-methylpyrazol-5-amine
CID 43336331
4-(2-Chloro-6-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine
CID 43336342
4-(2-Chloro-6-fluorophenyl)-3-(furan-3-yl)-1-methylpyrazol-5-amine
CID 43336346
4-(3-Fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine
CID 43336598

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 2980926) is 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)CC2c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is OLANKQQHIMCNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c1-15-22(17-9-11-18(24)12-10-17)23-25-19(21-8-5-13-28-21)14-20(27(23)26-15)16-6-3-2-4-7-16/h2-13,20H,14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 387.87 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2980926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).