1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide

C20H20FN3O2 — CID 78840043

IUPAC1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C20H20FN3O2/c1-13(15-8-4-7-11-19(15)26-3)23-20(25)16-12-22-24(14(16)2)18-10-6-5-9-17(18)21/h4-13H,1-3H3,(H,23,25)
InChIKeyPZZRGSQCKLAOQK-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.82
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide (PubChem CID 78840043) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide
PubChem CID78840043
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C20H20FN3O2/c1-13(15-8-4-7-11-19(15)26-3)23-20(25)16-12-22-24(14(16)2)18-10-6-5-9-17(18)21/h4-13H,1-3H3,(H,23,25)
InChIKeyPZZRGSQCKLAOQK-UHFFFAOYSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648552
2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide
CID 55902558
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32936510
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 75417905
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 134026230
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111480283
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide (CID 78840043) is 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide is COc1ccccc1C(C)NC(=O)c1cnn(-c2ccccc2F)c1C.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is PZZRGSQCKLAOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13(15-8-4-7-11-19(15)26-3)23-20(25)16-12-22-24(14(16)2)18-10-6-5-9-17(18)21/h4-13H,1-3H3,(H,23,25).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78840043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).