N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19FN4O — CID 46587804

IUPACN-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)N(C)C(C)c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H19FN4O/c1-11-9-12(2)23-17(21-11)16(10-20-23)18(24)22(4)13(3)14-5-7-15(19)8-6-14/h5-10,13H,1-4H3
InChIKeyJMRBEBRJGNDCTM-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.32
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46587804) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46587804
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)N(C)C(C)c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H19FN4O/c1-11-9-12(2)23-17(21-11)16(10-20-23)18(24)22(4)13(3)14-5-7-15(19)8-6-14/h5-10,13H,1-4H3
InChIKeyJMRBEBRJGNDCTM-UHFFFAOYSA-N
XLogP3.32
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 97208137
N-[1-(3,4-difluorophenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46535131
N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55103751
5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 131986798
N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43054671
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
N-(4-hydroxypentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 107300375
7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 86858306
N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 46677441
7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68955544
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171674046

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46587804) is N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)N(C)C(C)c3ccc(F)cc3)c2n1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JMRBEBRJGNDCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11-9-12(2)23-17(21-11)16(10-20-23)18(24)22(4)13(3)14-5-7-15(19)8-6-14/h5-10,13H,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46587804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).