7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C21H24N4O — CID 20919274

IUPAC7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC1CCc2c(cnc3c(C(=O)NCC(C)c4ccccc4)cnn23)C1
InChIInChI=1S/C21H24N4O/c1-14-8-9-19-17(10-14)12-22-20-18(13-24-25(19)20)21(26)23-11-15(2)16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H,23,26)
InChIKeyOBFSLDRUOKXFMF-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.39
Rot. Bonds4

About 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 20919274) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID20919274
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC1CCc2c(cnc3c(C(=O)NCC(C)c4ccccc4)cnn23)C1
InChIInChI=1S/C21H24N4O/c1-14-8-9-19-17(10-14)12-22-20-18(13-24-25(19)20)21(26)23-11-15(2)16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H,23,26)
InChIKeyOBFSLDRUOKXFMF-UHFFFAOYSA-N
XLogP3.39
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919261
N-[(2-methoxyphenyl)methyl]-7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919270
7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919266
N-[(3-methoxyphenyl)methyl]-7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919271
4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide
CID 20908852
N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919323
7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109667
N-[(2R)-2-phenylpropyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 94822209
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
4-oxo-N-[(2S)-2-phenylpropyl]-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 92726344
N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20886299

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 20919274) is 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is CC1CCc2c(cnc3c(C(=O)NCC(C)c4ccccc4)cnn23)C1.
What is the InChIKey of 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is OBFSLDRUOKXFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-8-9-19-17(10-14)12-22-20-18(13-24-25(19)20)21(26)23-11-15(2)16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H,23,26).
What are the key properties of 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 20919274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).