N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

C20H20FN3O2 — CID 146264146

IUPACN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n(C)n1
InChIInChI=1S/C20H20FN3O2/c1-14-11-19(24(2)23-14)20(25)22-12-15-7-9-17(10-8-15)26-13-16-5-3-4-6-18(16)21/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyAYDKYWRDCAURMM-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.38
Rot. Bonds6

About N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 146264146) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID146264146
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n(C)n1
InChIInChI=1S/C20H20FN3O2/c1-14-11-19(24(2)23-14)20(25)22-12-15-7-9-17(10-8-15)26-13-16-5-3-4-6-18(16)21/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyAYDKYWRDCAURMM-UHFFFAOYSA-N
XLogP3.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-5-carboxamide
CID 146264115
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 146264079
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025581
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 87024503
3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide
CID 121088744
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide
CID 54327325
1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010210
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 132972596
N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56818575
N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369650
N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-5-carboxamide
CID 146264070

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 146264146) is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n(C)n1.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is AYDKYWRDCAURMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14-11-19(24(2)23-14)20(25)22-12-15-7-9-17(10-8-15)26-13-16-5-3-4-6-18(16)21/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 146264146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).