6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H26N6O — CID 95211110

IUPAC6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N(C)[C@@H](C)c3ccncc3)cnn2c1
InChIInChI=1S/C20H26N6O/c1-5-25(6-2)13-16-11-22-19-18(12-23-26(19)14-16)20(27)24(4)15(3)17-7-9-21-10-8-17/h7-12,14-15H,5-6,13H2,1-4H3/t15-/m0/s1
InChIKeyTVVNIFOWSJHKOD-HNNXBMFYSA-N
MW366.47 g/mol
LogP2.80
Rot. Bonds7

About 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95211110) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95211110
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N(C)[C@@H](C)c3ccncc3)cnn2c1
InChIInChI=1S/C20H26N6O/c1-5-25(6-2)13-16-11-22-19-18(12-23-26(19)14-16)20(27)24(4)15(3)17-7-9-21-10-8-17/h7-12,14-15H,5-6,13H2,1-4H3/t15-/m0/s1
InChIKeyTVVNIFOWSJHKOD-HNNXBMFYSA-N
XLogP2.80
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
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
azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222
6-(diethylaminomethyl)-N-(2-pyrazol-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56700485
6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95210862
6-(diethylaminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56703054
6-(diethylaminomethyl)-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56717535
6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56710203
6-(diethylaminomethyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56756831
3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 154739477
6-(diethylaminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56738525

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95211110) is 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)N(C)[C@@H](C)c3ccncc3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TVVNIFOWSJHKOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-5-25(6-2)13-16-11-22-19-18(12-23-26(19)14-16)20(27)24(4)15(3)17-7-9-21-10-8-17/h7-12,14-15H,5-6,13H2,1-4H3/t15-/m0/s1.
What are the key properties of 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95211110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).