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

C18H18FN5O2 — CID 121119682

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cn1
InChIInChI=1S/C18H18FN5O2/c1-2-14-9-17(25)24(11-21-14)8-7-20-18(26)16-10-15(22-23-16)12-3-5-13(19)6-4-12/h3-6,9-11H,2,7-8H2,1H3,(H,20,26)(H,22,23)
InChIKeyAWDYJBGSVIIXIB-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.76
Rot. Bonds6

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

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 121119682) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID121119682
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cn1
InChIInChI=1S/C18H18FN5O2/c1-2-14-9-17(25)24(11-21-14)8-7-20-18(26)16-10-15(22-23-16)12-3-5-13(19)6-4-12/h3-6,9-11H,2,7-8H2,1H3,(H,20,26)(H,22,23)
InChIKeyAWDYJBGSVIIXIB-UHFFFAOYSA-N
XLogP1.76
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121119290
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71795159
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121119799
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516229
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]-3,5-dimethoxybenzamide
CID 90516111
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 121119568
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
CID 121119576
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 121119766
3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 131703935

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 121119682) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is CCc1cc(=O)n(CCNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is AWDYJBGSVIIXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-2-14-9-17(25)24(11-21-14)8-7-20-18(26)16-10-15(22-23-16)12-3-5-13(19)6-4-12/h3-6,9-11H,2,7-8H2,1H3,(H,20,26)(H,22,23).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121119682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).