N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C16H24N4O — CID 34231119

IUPACN-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCCCNC(=O)CCc1c(C)nc2cc(C)nn2c1C
InChIInChI=1S/C16H24N4O/c1-5-6-9-17-16(21)8-7-14-12(3)18-15-10-11(2)19-20(15)13(14)4/h10H,5-9H2,1-4H3,(H,17,21)
InChIKeyMGHBHTQLWFFKLE-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.50
Rot. Bonds6

About N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 34231119) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID34231119
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCCCNC(=O)CCc1c(C)nc2cc(C)nn2c1C
InChIInChI=1S/C16H24N4O/c1-5-6-9-17-16(21)8-7-14-12(3)18-15-10-11(2)19-20(15)13(14)4/h10H,5-9H2,1-4H3,(H,17,21)
InChIKeyMGHBHTQLWFFKLE-UHFFFAOYSA-N
XLogP2.50
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32646392
N-(3-hydroxybutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 111433373
N-(3-morpholin-4-ylpropyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30532438
N-[2-(methylamino)-2-oxoethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32559039
N-butyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18106246
N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46475586
N-hexyl-3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863291
3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7129126
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 97005050
N-(pyridin-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35511571
N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35505375
N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35894971

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 34231119) is N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is CCCCNC(=O)CCc1c(C)nc2cc(C)nn2c1C.
What is the InChIKey of N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is MGHBHTQLWFFKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-6-9-17-16(21)8-7-14-12(3)18-15-10-11(2)19-20(15)13(14)4/h10H,5-9H2,1-4H3,(H,17,21).
What are the key properties of N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 288.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 34231119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).