N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C16H22N4O2 — CID 53565577

IUPACN-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)NCC3CCCC3
InChIInChI=1S/C16H22N4O2/c1-10-13(7-15(21)17-9-12-5-3-4-6-12)11(2)20-14(18-10)8-16(22)19-20/h8,12H,3-7,9H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyGUWWASZIAMGERO-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.10
Rot. Bonds4

About N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 53565577) has the molecular formula C16H22N4O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID53565577
Molecular FormulaC16H22N4O2
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC NameN-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)NCC3CCCC3
InChIInChI=1S/C16H22N4O2/c1-10-13(7-15(21)17-9-12-5-3-4-6-12)11(2)20-14(18-10)8-16(22)19-20/h8,12H,3-7,9H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyGUWWASZIAMGERO-UHFFFAOYSA-N
XLogP1.10
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity597

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 53565577) is N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is CC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)NCC3CCCC3.
What is the InChIKey of N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is GUWWASZIAMGERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-13(7-15(21)17-9-12-5-3-4-6-12)11(2)20-14(18-10)8-16(22)19-20/h8,12H,3-7,9H2,1-2H3,(H,17,21)(H,19,22).
What are the key properties of N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 53565577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).