N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16N4O — CID 39977135

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1cnn2cccnc12)[C@H]1CCc2ccccc21
InChIInChI=1S/C17H16N4O/c1-20(15-8-7-12-5-2-3-6-13(12)15)17(22)14-11-19-21-10-4-9-18-16(14)21/h2-6,9-11,15H,7-8H2,1H3/t15-/m0/s1
InChIKeyNUXOMJJQWYDVAP-HNNXBMFYSA-N
MW292.34 g/mol
LogP2.49
Rot. Bonds2

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 39977135) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID39977135
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1cnn2cccnc12)[C@H]1CCc2ccccc21
InChIInChI=1S/C17H16N4O/c1-20(15-8-7-12-5-2-3-6-13(12)15)17(22)14-11-19-21-10-4-9-18-16(14)21/h2-6,9-11,15H,7-8H2,1H3/t15-/m0/s1
InChIKeyNUXOMJJQWYDVAP-HNNXBMFYSA-N
XLogP2.49
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 39977135) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C(=O)c1cnn2cccnc12)[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NUXOMJJQWYDVAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-20(15-8-7-12-5-2-3-6-13(12)15)17(22)14-11-19-21-10-4-9-18-16(14)21/h2-6,9-11,15H,7-8H2,1H3/t15-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 39977135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).