3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

C17H16FN5O2 — CID 121119290

IUPAC3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cn1
InChIInChI=1S/C17H16FN5O2/c1-11-8-16(24)23(10-20-11)7-6-19-17(25)15-9-14(21-22-15)12-2-4-13(18)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,19,25)(H,21,22)
InChIKeyUBQYMJAIDSXROL-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.51
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 121119290) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID121119290
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cn1
InChIInChI=1S/C17H16FN5O2/c1-11-8-16(24)23(10-20-11)7-6-19-17(25)15-9-14(21-22-15)12-2-4-13(18)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,19,25)(H,21,22)
InChIKeyUBQYMJAIDSXROL-UHFFFAOYSA-N
XLogP1.51
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 121119682
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 90516106
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,4-dimethylbenzamide
CID 90516097
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516229
1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119455
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethoxybenzamide
CID 90516111
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516282
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 90516055
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylphenoxy)acetamide
CID 90516244
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71795159
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3-methyl-4-nitrobenzamide
CID 90516264

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 121119290) is 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is Cc1cc(=O)n(CCNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UBQYMJAIDSXROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-11-8-16(24)23(10-20-11)7-6-19-17(25)15-9-14(21-22-15)12-2-4-13(18)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,19,25)(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121119290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).