2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C25H25N3O — CID 134808234

IUPAC2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(CN2CCCn3nc(C)c(-c4ccccc4-c4ccccc4)c32)o1
InChIInChI=1S/C25H25N3O/c1-18-13-14-21(29-18)17-27-15-8-16-28-25(27)24(19(2)26-28)23-12-7-6-11-22(23)20-9-4-3-5-10-20/h3-7,9-14H,8,15-17H2,1-2H3
InChIKeyCYXOFNJHVMJMLO-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.84
Rot. Bonds4

About 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134808234) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134808234
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(CN2CCCn3nc(C)c(-c4ccccc4-c4ccccc4)c32)o1
InChIInChI=1S/C25H25N3O/c1-18-13-14-21(29-18)17-27-15-8-16-28-25(27)24(19(2)26-28)23-12-7-6-11-22(23)20-9-4-3-5-10-20/h3-7,9-14H,8,15-17H2,1-2H3
InChIKeyCYXOFNJHVMJMLO-UHFFFAOYSA-N
XLogP5.84
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Furan-2-yl-7-{3-[(methyl-phenethyl-amino)-methyl]-phenyl}-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 44387791
N-(2-furylmethyl)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193203
1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 51104770
(4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 134809179
[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone
CID 134809822
6-(furan-2-yl)-5-methyl-4-phenyl-1-propan-2-yl-4H-pyrazolo[5,4-d]pyrimidine
CID 16276579
(4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 134807658
3-[[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzoic acid
CID 134808158
2-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 29660553
Ethyl({[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-YL)-1H-pyrazol-4-YL]methyl})[(furan-2-YL)methyl]amine
CID 42690492
N-[(Furan-2-YL)methyl]-4-({5-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}methyl)benzamide
CID 46279487
N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine;2,2,2-trifluoroacetic acid
CID 69150845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134808234) is 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is Cc1ccc(CN2CCCn3nc(C)c(-c4ccccc4-c4ccccc4)c32)o1.
What is the InChIKey of 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is CYXOFNJHVMJMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18-13-14-21(29-18)17-27-15-8-16-28-25(27)24(19(2)26-28)23-12-7-6-11-22(23)20-9-4-3-5-10-20/h3-7,9-14H,8,15-17H2,1-2H3.
What are the key properties of 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 383.50 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134808234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).