[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone

C18H28N6O — CID 56704782

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cnn3cc(CN(CC)CC)cnc23)CCN1
InChIInChI=1S/C18H28N6O/c1-4-15-13-23(8-7-19-15)18(25)16-10-21-24-12-14(9-20-17(16)24)11-22(5-2)6-3/h9-10,12,15,19H,4-8,11,13H2,1-3H3
InChIKeyAUVPKXIMRFQCIC-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.40
Rot. Bonds6

About [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone (PubChem CID 56704782) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone
PubChem CID56704782
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cnn3cc(CN(CC)CC)cnc23)CCN1
InChIInChI=1S/C18H28N6O/c1-4-15-13-23(8-7-19-15)18(25)16-10-21-24-12-14(9-20-17(16)24)11-22(5-2)6-3/h9-10,12,15,19H,4-8,11,13H2,1-3H3
InChIKeyAUVPKXIMRFQCIC-UHFFFAOYSA-N
XLogP1.40
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644
azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 95727070
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95204288
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56712838
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
CID 56721952
6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56710203
6-(diethylaminomethyl)-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702799
6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191660
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95211626
6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191738

Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone (CID 56704782) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2cnn3cc(CN(CC)CC)cnc23)CCN1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone?
The InChIKey is AUVPKXIMRFQCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-15-13-23(8-7-19-15)18(25)16-10-21-24-12-14(9-20-17(16)24)11-22(5-2)6-3/h9-10,12,15,19H,4-8,11,13H2,1-3H3.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 56704782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).