6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N5O — CID 56760299

IUPAC6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NC3CCc4ccccc43)cnn2c1
InChIInChI=1S/C21H25N5O/c1-3-25(4-2)13-15-11-22-20-18(12-23-26(20)14-15)21(27)24-19-10-9-16-7-5-6-8-17(16)19/h5-8,11-12,14,19H,3-4,9-10,13H2,1-2H3,(H,24,27)
InChIKeyLCUXYRGNLFKTLE-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.99
Rot. Bonds6

About 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56760299) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56760299
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NC3CCc4ccccc43)cnn2c1
InChIInChI=1S/C21H25N5O/c1-3-25(4-2)13-15-11-22-20-18(12-23-26(20)14-15)21(27)24-19-10-9-16-7-5-6-8-17(16)19/h5-8,11-12,14,19H,3-4,9-10,13H2,1-2H3,(H,24,27)
InChIKeyLCUXYRGNLFKTLE-UHFFFAOYSA-N
XLogP2.99
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(1-hydroxy-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56703054
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
6-(diethylaminomethyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56756831
6-(diethylaminomethyl)-N-(2-pyrazol-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56700485
6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56744281
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644
6-(2-hydroxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74233515
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95159617
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
6-(2-aminoethyl)-N-(2-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167763963

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56760299) is 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NC3CCc4ccccc43)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LCUXYRGNLFKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-25(4-2)13-15-11-22-20-18(12-23-26(20)14-15)21(27)24-19-10-9-16-7-5-6-8-17(16)19/h5-8,11-12,14,19H,3-4,9-10,13H2,1-2H3,(H,24,27).
What are the key properties of 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56760299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).