azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

C20H22N4O — CID 744096

IUPACazepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N3CCCCCC3)nn12
InChIInChI=1S/C20H22N4O/c1-15-13-17(16-9-5-4-6-10-16)21-19-14-18(22-24(15)19)20(25)23-11-7-2-3-8-12-23/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3
InChIKeyLYVPEEGPKHYNNC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.72
Rot. Bonds2

About azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 744096) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID744096
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Nameazepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N3CCCCCC3)nn12
InChIInChI=1S/C20H22N4O/c1-15-13-17(16-9-5-4-6-10-16)21-19-14-18(22-24(15)19)20(25)23-11-7-2-3-8-12-23/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3
InChIKeyLYVPEEGPKHYNNC-UHFFFAOYSA-N
XLogP3.72
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 143022801
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 53175345
[7-(dimethylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 135300332
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103631
azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 167206284
[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42877309
[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1111292
N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3991557
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 744096) is azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1cc(-c2ccccc2)nc2cc(C(=O)N3CCCCCC3)nn12.
What is the InChIKey of azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is LYVPEEGPKHYNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-13-17(16-9-5-4-6-10-16)21-19-14-18(22-24(15)19)20(25)23-11-7-2-3-8-12-23/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3.
What are the key properties of azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 744096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).