N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H13FN4O2 — CID 50926774

IUPACN-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCc3ccccc3F)c2n1
InChIInChI=1S/C15H13FN4O2/c1-9-6-13(21)20-14(19-9)11(8-18-20)15(22)17-7-10-4-2-3-5-12(10)16/h2-6,8,18H,7H2,1H3,(H,17,22)
InChIKeyVUZHJDFMHWDTGP-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.40
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50926774) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50926774
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCc3ccccc3F)c2n1
InChIInChI=1S/C15H13FN4O2/c1-9-6-13(21)20-14(19-9)11(8-18-20)15(22)17-7-10-4-2-3-5-12(10)16/h2-6,8,18H,7H2,1H3,(H,17,22)
InChIKeyVUZHJDFMHWDTGP-UHFFFAOYSA-N
XLogP1.40
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4548099
3-[5-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167752946
N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926730
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173
N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926751
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 110485775
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273441

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50926774) is N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)NCc3ccccc3F)c2n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VUZHJDFMHWDTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-9-6-13(21)20-14(19-9)11(8-18-20)15(22)17-7-10-4-2-3-5-12(10)16/h2-6,8,18H,7H2,1H3,(H,17,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50926774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).