N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide

C15H15N5O — CID 6539552

IUPACN-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)nc12
InChIInChI=1S/C15H15N5O/c1-2-6-12(21)17-15-13-11(19-20-15)9-16-14(18-13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,17,19,20,21)
InChIKeyOLQOBGISDJZONR-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.76
Rot. Bonds4

About N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide

N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide (PubChem CID 6539552) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide
PubChem CID6539552
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)nc12
InChIInChI=1S/C15H15N5O/c1-2-6-12(21)17-15-13-11(19-20-15)9-16-14(18-13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,17,19,20,21)
InChIKeyOLQOBGISDJZONR-UHFFFAOYSA-N
XLogP2.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide?
The IUPAC name of N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide (CID 6539552) is N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)nc12.
What is the InChIKey of N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide?
The InChIKey is OLQOBGISDJZONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-6-12(21)17-15-13-11(19-20-15)9-16-14(18-13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,17,19,20,21).
What are the key properties of N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide?
N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide has a molecular weight of 281.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)butanamide is sourced from PubChem (CID 6539552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).