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

C17H26N6O — CID 95191660

IUPAC6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N[C@@H]3CCCNC3)cnn2c1
InChIInChI=1S/C17H26N6O/c1-3-22(4-2)11-13-8-19-16-15(10-20-23(16)12-13)17(24)21-14-6-5-7-18-9-14/h8,10,12,14,18H,3-7,9,11H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyHZEOUYDVHFCGHP-CQSZACIVSA-N
MW330.44 g/mol
LogP1.05
Rot. Bonds6

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

6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95191660) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95191660
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N[C@@H]3CCCNC3)cnn2c1
InChIInChI=1S/C17H26N6O/c1-3-22(4-2)11-13-8-19-16-15(10-20-23(16)12-13)17(24)21-14-6-5-7-18-9-14/h8,10,12,14,18H,3-7,9,11H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyHZEOUYDVHFCGHP-CQSZACIVSA-N
XLogP1.05
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(diethylaminomethyl)-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702799
6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191738
6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56760299
6-(diethylaminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56703054
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)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644
6-(diethylaminomethyl)-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56717535
6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56751881
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone
CID 56704782
6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95210862
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 95727070

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95191660) is 6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3CCCNC3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HZEOUYDVHFCGHP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-22(4-2)11-13-8-19-16-15(10-20-23(16)12-13)17(24)21-14-6-5-7-18-9-14/h8,10,12,14,18H,3-7,9,11H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95191660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).