N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H28N6O2 — CID 56721866

IUPACN-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NC3CCCN(C(C)=O)C3)cnn2c1
InChIInChI=1S/C19H28N6O2/c1-4-23(5-2)11-15-9-20-18-17(10-21-25(18)12-15)19(27)22-16-7-6-8-24(13-16)14(3)26/h9-10,12,16H,4-8,11,13H2,1-3H3,(H,22,27)
InChIKeyPMVFZCVVPOTZCG-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.31
Rot. Bonds6

About N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56721866) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56721866
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NC3CCCN(C(C)=O)C3)cnn2c1
InChIInChI=1S/C19H28N6O2/c1-4-23(5-2)11-15-9-20-18-17(10-21-25(18)12-15)19(27)22-16-7-6-8-24(13-16)14(3)26/h9-10,12,16H,4-8,11,13H2,1-3H3,(H,22,27)
InChIKeyPMVFZCVVPOTZCG-UHFFFAOYSA-N
XLogP1.31
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56721866) is N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NC3CCCN(C(C)=O)C3)cnn2c1.
What is the InChIKey of N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PMVFZCVVPOTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-4-23(5-2)11-15-9-20-18-17(10-21-25(18)12-15)19(27)22-16-7-6-8-24(13-16)14(3)26/h9-10,12,16H,4-8,11,13H2,1-3H3,(H,22,27).
What are the key properties of N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-3-yl)-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56721866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).