5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

C17H18FN5O2 — CID 56744907

IUPAC5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C17H18FN5O2/c1-23(7-6-12-9-19-20-10-12)17(24)15-8-13(21-22-15)11-25-16-5-3-2-4-14(16)18/h2-5,8-10H,6-7,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyYXMWTNUFMXJHIY-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.17
Rot. Bonds7

About 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 56744907) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID56744907
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C17H18FN5O2/c1-23(7-6-12-9-19-20-10-12)17(24)15-8-13(21-22-15)11-25-16-5-3-2-4-14(16)18/h2-5,8-10H,6-7,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyYXMWTNUFMXJHIY-UHFFFAOYSA-N
XLogP2.17
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
CID 95401315
4-[(2-fluorophenoxy)methyl]-1H-pyrazole
CID 130569602
N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56744159
5-[(2-fluorophenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56755768
N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56757672
5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56759334
N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56749227
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749691
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961
5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 56759685
4-fluoro-N-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765653
5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 25274700

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 56744907) is 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is CN(CCc1cn[nH]c1)C(=O)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YXMWTNUFMXJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-23(7-6-12-9-19-20-10-12)17(24)15-8-13(21-22-15)11-25-16-5-3-2-4-14(16)18/h2-5,8-10H,6-7,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56744907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).