[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone

C18H25N5O — CID 95189989

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
SMILESCC[C@@H]1C=CCN1C(=O)c1cnn2cc(CN(CC)CC)cnc12
InChIInChI=1S/C18H25N5O/c1-4-15-8-7-9-22(15)18(24)16-11-20-23-13-14(10-19-17(16)23)12-21(5-2)6-3/h7-8,10-11,13,15H,4-6,9,12H2,1-3H3/t15-/m1/s1
InChIKeyONCBAMJXHPTYKW-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.36
Rot. Bonds6

About [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 95189989) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
PubChem CID95189989
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
SMILESCC[C@@H]1C=CCN1C(=O)c1cnn2cc(CN(CC)CC)cnc12
InChIInChI=1S/C18H25N5O/c1-4-15-8-7-9-22(15)18(24)16-11-20-23-13-14(10-19-17(16)23)12-21(5-2)6-3/h7-8,10-11,13,15H,4-6,9,12H2,1-3H3/t15-/m1/s1
InChIKeyONCBAMJXHPTYKW-OAHLLOKOSA-N
XLogP2.36
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
CID 56721952
azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-propylpyrrolidin-1-yl]methanone
CID 95199911
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone
CID 56704782
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95211626
4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56712838
6-(diethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758971
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95229392
6-(diethylaminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56703054
6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95228728

Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone (CID 95189989) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone is CC[C@@H]1C=CCN1C(=O)c1cnn2cc(CN(CC)CC)cnc12.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is ONCBAMJXHPTYKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-15-8-7-9-22(15)18(24)16-11-20-23-13-14(10-19-17(16)23)12-21(5-2)6-3/h7-8,10-11,13,15H,4-6,9,12H2,1-3H3/t15-/m1/s1.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 95189989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).