1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide

C20H20FN3O2 — CID 55649566

IUPAC1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C20H20FN3O2/c1-15-7-3-6-10-19(15)26-14-13-23(2)20(25)17-11-12-24(22-17)18-9-5-4-8-16(18)21/h3-12H,13-14H2,1-2H3
InChIKeySXABPMLANJLDOZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.47
Rot. Bonds6

About 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide (PubChem CID 55649566) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
PubChem CID55649566
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C20H20FN3O2/c1-15-7-3-6-10-19(15)26-14-13-23(2)20(25)17-11-12-24(22-17)18-9-5-4-8-16(18)21/h3-12H,13-14H2,1-2H3
InChIKeySXABPMLANJLDOZ-UHFFFAOYSA-N
XLogP3.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55650229
1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 60589600
1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
CID 18120193
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 51241769
1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide
CID 81037219
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55647998
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60610195
(2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate
CID 78868567
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide
CID 55925389

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide (CID 55649566) is 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide is Cc1ccccc1OCCN(C)C(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide?
The InChIKey is SXABPMLANJLDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-15-7-3-6-10-19(15)26-14-13-23(2)20(25)17-11-12-24(22-17)18-9-5-4-8-16(18)21/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55649566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).