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

C19H29N5O — CID 56707006

IUPACazocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCCCCC3)cnn2c1
InChIInChI=1S/C19H29N5O/c1-3-22(4-2)14-16-12-20-18-17(13-21-24(18)15-16)19(25)23-10-8-6-5-7-9-11-23/h12-13,15H,3-11,14H2,1-2H3
InChIKeyPLOWVAJKMCEXSF-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.98
Rot. Bonds5

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

azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 56707006) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID56707006
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Nameazocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCCCCC3)cnn2c1
InChIInChI=1S/C19H29N5O/c1-3-22(4-2)14-16-12-20-18-17(13-21-24(18)15-16)19(25)23-10-8-6-5-7-9-11-23/h12-13,15H,3-11,14H2,1-2H3
InChIKeyPLOWVAJKMCEXSF-UHFFFAOYSA-N
XLogP2.98
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 56707006) is azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCCCCCC3)cnn2c1.
What is the InChIKey of azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is PLOWVAJKMCEXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-22(4-2)14-16-12-20-18-17(13-21-24(18)15-16)19(25)23-10-8-6-5-7-9-11-23/h12-13,15H,3-11,14H2,1-2H3.
What are the key properties of azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 56707006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).