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

C18H28N6O — CID 56710203

IUPAC6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC3CCN(C)C3)cnn2c1
InChIInChI=1S/C18H28N6O/c1-4-23(5-2)12-15-9-19-17-16(10-21-24(17)13-15)18(25)20-8-14-6-7-22(3)11-14/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,20,25)
InChIKeyGGOOLDUCEKYHGT-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.25
Rot. Bonds7

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

6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56710203) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56710203
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC3CCN(C)C3)cnn2c1
InChIInChI=1S/C18H28N6O/c1-4-23(5-2)12-15-9-19-17-16(10-21-24(17)13-15)18(25)20-8-14-6-7-22(3)11-14/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,20,25)
InChIKeyGGOOLDUCEKYHGT-UHFFFAOYSA-N
XLogP1.25
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191738
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
6-(diethylaminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56738525
6-(diethylaminomethyl)-N-(2-pyrazol-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56700485
6-(diethylaminomethyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56755878
6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95228728
6-(diethylaminomethyl)-N-(1-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758821
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)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56751881
6-(diethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758971
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56710203) is 6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCC3CCN(C)C3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GGOOLDUCEKYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-23(5-2)12-15-9-19-17-16(10-21-24(17)13-15)18(25)20-8-14-6-7-22(3)11-14/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,20,25).
What are the key properties of 6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56710203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).