6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H30N6O — CID 95191738

IUPAC6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC[C@H]3CCCN3C)cnn2c1
InChIInChI=1S/C19H30N6O/c1-4-24(5-2)13-15-11-21-18-17(12-22-25(18)14-15)19(26)20-9-8-16-7-6-10-23(16)3/h11-12,14,16H,4-10,13H2,1-3H3,(H,20,26)/t16-/m1/s1
InChIKeyPVYXTYTZQVPAOP-MRXNPFEDSA-N
MW358.49 g/mol
LogP1.79
Rot. Bonds8

About 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95191738) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95191738
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC[C@H]3CCCN3C)cnn2c1
InChIInChI=1S/C19H30N6O/c1-4-24(5-2)13-15-11-21-18-17(12-22-25(18)14-15)19(26)20-9-8-16-7-6-10-23(16)3/h11-12,14,16H,4-10,13H2,1-3H3,(H,20,26)/t16-/m1/s1
InChIKeyPVYXTYTZQVPAOP-MRXNPFEDSA-N
XLogP1.79
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56710203
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-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191660
6-(diethylaminomethyl)-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702799
6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56751881
6-(diethylaminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56738525
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644
6-(diethylaminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56703054
6-(diethylaminomethyl)-N-(1-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758821
6-(diethylaminomethyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56756831
6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56760299

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95191738) is 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCC[C@H]3CCCN3C)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PVYXTYTZQVPAOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N6O/c1-4-24(5-2)13-15-11-21-18-17(12-22-25(18)14-15)19(26)20-9-8-16-7-6-10-23(16)3/h11-12,14,16H,4-10,13H2,1-3H3,(H,20,26)/t16-/m1/s1.
What are the key properties of 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95191738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).