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

C21H16ClN3O2 — CID 7358868

IUPAC(7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@@H]2c1ccco1
InChIInChI=1S/C21H16ClN3O2/c1-13-20(14-6-8-15(22)9-7-14)21-23-16(18-4-2-10-26-18)12-17(25(21)24-13)19-5-3-11-27-19/h2-11,17H,12H2,1H3/t17-/m1/s1
InChIKeyXHOCXMOWEHRLED-QGZVFWFLSA-N
MW377.83 g/mol
LogP5.81
Rot. Bonds3

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

(7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 7358868) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is (7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID7358868
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name(7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@@H]2c1ccco1
InChIInChI=1S/C21H16ClN3O2/c1-13-20(14-6-8-15(22)9-7-14)21-23-16(18-4-2-10-26-18)12-17(25(21)24-13)19-5-3-11-27-19/h2-11,17H,12H2,1H3/t17-/m1/s1
InChIKeyXHOCXMOWEHRLED-QGZVFWFLSA-N
XLogP5.81
TPSA56.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182739
(7R)-5-(furan-2-yl)-3-(4-methoxyphenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 7708607
(7R)-7-(furan-2-yl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 27511647
(7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 40771955
(7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 41352592
(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 7407875
4-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 86807981
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylphenoxy)ethanone
CID 7788818
5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17121149
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
(2R)-1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 7866754
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone
CID 7777998

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 7358868) is (7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@@H]2c1ccco1.
What is the InChIKey of (7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is XHOCXMOWEHRLED-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-13-20(14-6-8-15(22)9-7-14)21-23-16(18-4-2-10-26-18)12-17(25(21)24-13)19-5-3-11-27-19/h2-11,17H,12H2,1H3/t17-/m1/s1.
What are the key properties of (7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
(7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 377.83 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 7358868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).