3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide

C17H16FN5O2 — CID 131703935

IUPAC3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1cccnc1=O
InChIInChI=1S/C17H16FN5O2/c1-22-15(11-14(21-22)12-3-5-13(18)6-4-12)16(24)19-8-10-23-9-2-7-20-17(23)25/h2-7,9,11H,8,10H2,1H3,(H,19,24)
InChIKeyJBBSQOOKDOWULT-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.21
Rot. Bonds5

About 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 131703935) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
PubChem CID131703935
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1cccnc1=O
InChIInChI=1S/C17H16FN5O2/c1-22-15(11-14(21-22)12-3-5-13(18)6-4-12)16(24)19-8-10-23-9-2-7-20-17(23)25/h2-7,9,11H,8,10H2,1H3,(H,19,24)
InChIKeyJBBSQOOKDOWULT-UHFFFAOYSA-N
XLogP1.21
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide (CID 131703935) is 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1cccnc1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is JBBSQOOKDOWULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-22-15(11-14(21-22)12-3-5-13(18)6-4-12)16(24)19-8-10-23-9-2-7-20-17(23)25/h2-7,9,11H,8,10H2,1H3,(H,19,24).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 131703935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).