3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

C19H18ClN3O2 — CID 45030575

IUPAC3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(13-5-9-16(25-2)10-6-13)21-19(24)18-11-17(22-23-18)14-3-7-15(20)8-4-14/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyODKSVDFICLLNSY-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.23
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 45030575) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID45030575
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(13-5-9-16(25-2)10-6-13)21-19(24)18-11-17(22-23-18)14-3-7-15(20)8-4-14/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyODKSVDFICLLNSY-UHFFFAOYSA-N
XLogP4.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 20918247
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512406
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112843376
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910976
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 19510063

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 45030575) is 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide is COc1ccc(C(C)NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ODKSVDFICLLNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(13-5-9-16(25-2)10-6-13)21-19(24)18-11-17(22-23-18)14-3-7-15(20)8-4-14/h3-12H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).