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

C19H29N5O2 — CID 56752913

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCC(COC)C3)cnn2c1
InChIInChI=1S/C19H29N5O2/c1-4-22(5-2)11-16-9-20-18-17(10-21-24(18)13-16)19(25)23-8-6-7-15(12-23)14-26-3/h9-10,13,15H,4-8,11-12,14H2,1-3H3
InChIKeyAZKCAKDCFPWKPB-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.07
Rot. Bonds7

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

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 56752913) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID56752913
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCC(COC)C3)cnn2c1
InChIInChI=1S/C19H29N5O2/c1-4-22(5-2)11-16-9-20-18-17(10-21-24(18)13-16)19(25)23-8-6-7-15(12-23)14-26-3/h9-10,13,15H,4-8,11-12,14H2,1-3H3
InChIKeyAZKCAKDCFPWKPB-UHFFFAOYSA-N
XLogP2.07
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 56752913) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCCC(COC)C3)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is AZKCAKDCFPWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-4-22(5-2)11-16-9-20-18-17(10-21-24(18)13-16)19(25)23-8-6-7-15(12-23)14-26-3/h9-10,13,15H,4-8,11-12,14H2,1-3H3.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 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-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56752913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).