1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide

C19H17ClFN3O2 — CID 55925389

IUPAC1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClFN3O2/c1-23(11-12-26-17-7-5-15(21)6-8-17)19(25)18-9-10-24(22-18)16-4-2-3-14(20)13-16/h2-10,13H,11-12H2,1H3
InChIKeyUNJMLNQNUQKDLY-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.82
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide (PubChem CID 55925389) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide
PubChem CID55925389
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClFN3O2/c1-23(11-12-26-17-7-5-15(21)6-8-17)19(25)18-9-10-24(22-18)16-4-2-3-14(20)13-16/h2-10,13H,11-12H2,1H3
InChIKeyUNJMLNQNUQKDLY-UHFFFAOYSA-N
XLogP3.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55650229
3-chloro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31643505
2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189144
N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide
CID 51122600
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 86844397
1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
CID 55649566
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60676105
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133
N-[2-(4-fluorophenoxy)ethyl]-5-(2-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 55637945
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide (CID 55925389) is 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is UNJMLNQNUQKDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-23(11-12-26-17-7-5-15(21)6-8-17)19(25)18-9-10-24(22-18)16-4-2-3-14(20)13-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 55925389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).