1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide

C18H26N6O2 — CID 56747991

IUPAC1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCC(C(N)=O)C3)cnn2c1
InChIInChI=1S/C18H26N6O2/c1-3-22(4-2)10-13-8-20-17-15(9-21-24(17)11-13)18(26)23-7-5-6-14(12-23)16(19)25/h8-9,11,14H,3-7,10,12H2,1-2H3,(H2,19,25)
InChIKeyOJHHVTSBCGMJRH-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.91
Rot. Bonds6

About 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide

1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 56747991) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide
PubChem CID56747991
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCC(C(N)=O)C3)cnn2c1
InChIInChI=1S/C18H26N6O2/c1-3-22(4-2)10-13-8-20-17-15(9-21-24(17)11-13)18(26)23-7-5-6-14(12-23)16(19)25/h8-9,11,14H,3-7,10,12H2,1-2H3,(H2,19,25)
InChIKeyOJHHVTSBCGMJRH-UHFFFAOYSA-N
XLogP0.91
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide (CID 56747991) is 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)N3CCCC(C(N)=O)C3)cnn2c1.
What is the InChIKey of 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is OJHHVTSBCGMJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-22(4-2)10-13-8-20-17-15(9-21-24(17)11-13)18(26)23-7-5-6-14(12-23)16(19)25/h8-9,11,14H,3-7,10,12H2,1-2H3,(H2,19,25).
What are the key properties of 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide?
1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 56747991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).