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

C14H19F2N5O — CID 56703959

IUPAC6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC(F)F)cnn2c1
InChIInChI=1S/C14H19F2N5O/c1-3-20(4-2)8-10-5-17-13-11(6-19-21(13)9-10)14(22)18-7-12(15)16/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,18,22)
InChIKeyMDJMMBYOHHRSMK-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.57
Rot. Bonds7

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

6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56703959) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56703959
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC(F)F)cnn2c1
InChIInChI=1S/C14H19F2N5O/c1-3-20(4-2)8-10-5-17-13-11(6-19-21(13)9-10)14(22)18-7-12(15)16/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,18,22)
InChIKeyMDJMMBYOHHRSMK-UHFFFAOYSA-N
XLogP1.57
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414474
6-Formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50989583
N-butan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414545
N-{[3-(azocan-1-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-6-yl]methyl}-N-ethylethanamine
CID 56707006
N-ethyl-N-[(3-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56717116
N-(2,2-difluoroethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134795310
6-methyl-1-(pyrimidin-2-yl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 136004711
6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042089
7-Amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 721645
6-[(Diethylamino)methyl]-N-[(2R)-2-hydroxypropyl]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56701893
6-[(Diethylamino)methyl]-N,N-diethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56702378
6-[(Diethylamino)methyl]-N-(2-hydroxybutyl)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56702451

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56703959) is 6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCC(F)F)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MDJMMBYOHHRSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-3-20(4-2)8-10-5-17-13-11(6-19-21(13)9-10)14(22)18-7-12(15)16/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,18,22).
What are the key properties of 6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56703959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).