6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H17FN4O2 — CID 15999036

IUPAC6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]n2c(=O)c(Cc3ccc(F)cc3)c(C)nc12
InChIInChI=1S/C18H17FN4O2/c1-3-8-20-17(24)15-10-21-23-16(15)22-11(2)14(18(23)25)9-12-4-6-13(19)7-5-12/h3-7,10,21H,1,8-9H2,2H3,(H,20,24)
InChIKeyAFKLLHFTMRPCFZ-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.98
Rot. Bonds5

About 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15999036) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15999036
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]n2c(=O)c(Cc3ccc(F)cc3)c(C)nc12
InChIInChI=1S/C18H17FN4O2/c1-3-8-20-17(24)15-10-21-23-16(15)22-11(2)14(18(23)25)9-12-4-6-13(19)7-5-12/h3-7,10,21H,1,8-9H2,2H3,(H,20,24)
InChIKeyAFKLLHFTMRPCFZ-UHFFFAOYSA-N
XLogP1.98
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15999036) is 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=CCNC(=O)c1c[nH]n2c(=O)c(Cc3ccc(F)cc3)c(C)nc12.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AFKLLHFTMRPCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-3-8-20-17(24)15-10-21-23-16(15)22-11(2)14(18(23)25)9-12-4-6-13(19)7-5-12/h3-7,10,21H,1,8-9H2,2H3,(H,20,24).
What are the key properties of 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15999036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).