6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H22N6O2 — CID 56739277

IUPAC6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3cc(C)on3)cnn2c1
InChIInChI=1S/C17H22N6O2/c1-4-22(5-2)10-13-7-18-16-15(9-20-23(16)11-13)17(24)19-8-14-6-12(3)25-21-14/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,24)
InChIKeyDFXJJAGPASFVNK-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.80
Rot. Bonds7

About 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56739277) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56739277
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3cc(C)on3)cnn2c1
InChIInChI=1S/C17H22N6O2/c1-4-22(5-2)10-13-7-18-16-15(9-20-23(16)11-13)17(24)19-8-14-6-12(3)25-21-14/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,24)
InChIKeyDFXJJAGPASFVNK-UHFFFAOYSA-N
XLogP1.80
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US10118930, Example 316
CID 137018567
3-(1,3-Dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47040420
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 53500752
N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56885678
N-[(5-methyl-3-isoxazolyl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56898648
N-[(5-cyclopropyl-3-isoxazolyl)methyl]-5-isopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56915008
5-ethyl-N-[(5-isobutylisoxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70747822
N,2,3,5-tetramethyl-N-[(5-methylisoxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70787473
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
6-tert-butyl-N-[(5-isobutyl-3-isoxazolyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56889214
6-[2-{[[(3,5-dimethyl-4-isoxazolyl)methyl](methyl)amino]methyl}-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]-4-pyrimidinamine
CID 56900655
N-{2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-methyl-1,2-oxazole-3-carboxamide
CID 27478842

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56739277) is 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCc3cc(C)on3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DFXJJAGPASFVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-4-22(5-2)10-13-7-18-16-15(9-20-23(16)11-13)17(24)19-8-14-6-12(3)25-21-14/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,24).
What are the key properties of 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56739277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).