4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline

C25H30N2 — CID 170539444

IUPAC4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline
SMILESCC(C)Cc1ccc2c(c1)C(C)(C)C(C)(C)c1c(-c3ccccc3)cnn1-2
InChIInChI=1S/C25H30N2/c1-17(2)14-18-12-13-22-21(15-18)24(3,4)25(5,6)23-20(16-26-27(22)23)19-10-8-7-9-11-19/h7-13,15-17H,14H2,1-6H3
InChIKeyFVEKQXAIQQZQIZ-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.31
Rot. Bonds3

About 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline

4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline (PubChem CID 170539444) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline
PubChem CID170539444
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline
SMILESCC(C)Cc1ccc2c(c1)C(C)(C)C(C)(C)c1c(-c3ccccc3)cnn1-2
InChIInChI=1S/C25H30N2/c1-17(2)14-18-12-13-22-21(15-18)24(3,4)25(5,6)23-20(16-26-27(22)23)19-10-8-7-9-11-19/h7-13,15-17H,14H2,1-6H3
InChIKeyFVEKQXAIQQZQIZ-UHFFFAOYSA-N
XLogP6.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-methylpropyl)-3-phenylisoquinoline
CID 170528428
2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole
CID 162779222
3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole
CID 131982385
4-(2-methylpropyl)-1,2-diphenylbenzene;trifluoromethanesulfonic acid
CID 158718843
1,1,4,4-tetramethyl-6-(2-methylpropyl)-2,3-dihydronaphthalene
CID 59409873
9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene
CID 141021386
ethane;2-methylpropylbenzene
CID 162200929
N-[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]-1-[1,3,5-trimethyl-3,5-bis[[4-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]phenyl]iminomethyl]cyclohexyl]methanimine
CID 153438866
2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 123621511
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
1-(4-methyl-3-phenylphenyl)propan-2-ol
CID 117325758

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline?
The IUPAC name of 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline (CID 170539444) is 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline.
What is the SMILES notation for 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline?
The canonical SMILES for 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline is CC(C)Cc1ccc2c(c1)C(C)(C)C(C)(C)c1c(-c3ccccc3)cnn1-2.
What is the InChIKey of 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline?
The InChIKey is FVEKQXAIQQZQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-17(2)14-18-12-13-22-21(15-18)24(3,4)25(5,6)23-20(16-26-27(22)23)19-10-8-7-9-11-19/h7-13,15-17H,14H2,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline?
4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline has a molecular weight of 358.53 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline is sourced from PubChem (CID 170539444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).