N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide

C20H24FN3O2 — CID 42879131

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC2CC3CCC2C3)cc1-c1ccc(OC)cc1F
InChIInChI=1S/C20H24FN3O2/c1-3-24-19(15-7-6-14(26-2)10-16(15)21)11-18(23-24)20(25)22-17-9-12-4-5-13(17)8-12/h6-7,10-13,17H,3-5,8-9H2,1-2H3,(H,22,25)
InChIKeyRZTQOSOSKQDTFY-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.64
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 42879131) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID42879131
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC2CC3CCC2C3)cc1-c1ccc(OC)cc1F
InChIInChI=1S/C20H24FN3O2/c1-3-24-19(15-7-6-14(26-2)10-16(15)21)11-18(23-24)20(25)22-17-9-12-4-5-13(17)8-12/h6-7,10-13,17H,3-5,8-9H2,1-2H3,(H,22,25)
InChIKeyRZTQOSOSKQDTFY-UHFFFAOYSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 129226287
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 129226290
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyrazole-3-carboxamide
CID 129226774
5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide
CID 168510549
N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
CID 3236551
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-(4-methoxybenzyl)acetamide
CID 16028260
2-[2-(4-Methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]-N-(3-phenylpropyl)acetamide
CID 20953567
N-[3-(4-Benzylpiperazin-1-YL)propyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
CID 20953589
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 20953702
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513150
N-[(2-Fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
CID 22513173

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide (CID 42879131) is N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide is CCn1nc(C(=O)NC2CC3CCC2C3)cc1-c1ccc(OC)cc1F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is RZTQOSOSKQDTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-3-24-19(15-7-6-14(26-2)10-16(15)21)11-18(23-24)20(25)22-17-9-12-4-5-13(17)8-12/h6-7,10-13,17H,3-5,8-9H2,1-2H3,(H,22,25).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42879131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).