2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one

C16H23N3O — CID 154612475

IUPAC2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one
SMILESCCCCC(CCCC)C(=O)c1cnn2cccnc12
InChIInChI=1S/C16H23N3O/c1-3-5-8-13(9-6-4-2)15(20)14-12-18-19-11-7-10-17-16(14)19/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyHNXFCJVEFQLKBV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.91
Rot. Bonds8

About 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one

2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one (PubChem CID 154612475) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one.

Molecular Properties

Compound Name2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one
PubChem CID154612475
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one
SMILESCCCCC(CCCC)C(=O)c1cnn2cccnc12
InChIInChI=1S/C16H23N3O/c1-3-5-8-13(9-6-4-2)15(20)14-12-18-19-11-7-10-17-16(14)19/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyHNXFCJVEFQLKBV-UHFFFAOYSA-N
XLogP3.91
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 2819451
[4-(1-Methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127339721
1-(2-Amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
CID 117816815
3-(Cyclopropylmethyl)-1-[5-[2-(3-fluoro-5,6-dimethylcyclohepta-1,3,6-trien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
CID 123960895
3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one
CID 155083923
1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 160985489
2,2-Dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
CID 14501849
6-[(3-Tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine
CID 58235112
1-(7-Aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one
CID 58252567
1-(Pyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 59856268
3-Pentylpyrazolo[1,5-a]pyrimidine
CID 66962823
1-(7-Aminopyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 68337591

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one?
The IUPAC name of 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one (CID 154612475) is 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one.
What is the SMILES notation for 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one?
The canonical SMILES for 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one is CCCCC(CCCC)C(=O)c1cnn2cccnc12.
What is the InChIKey of 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one?
The InChIKey is HNXFCJVEFQLKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-5-8-13(9-6-4-2)15(20)14-12-18-19-11-7-10-17-16(14)19/h7,10-13H,3-6,8-9H2,1-2H3.
What are the key properties of 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one?
2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one has a molecular weight of 273.38 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one is sourced from PubChem (CID 154612475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).