5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide

C20H20FN3O2 — CID 56747947

IUPAC5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C20H20FN3O2/c1-14(15-7-4-3-5-8-15)24(2)20(25)19-12-17(22-23-19)13-26-18-10-6-9-16(21)11-18/h3-12,14H,13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyUCUJGZMPRSXIRV-AWEZNQCLSA-N
MW353.40 g/mol
LogP3.96
Rot. Bonds6

About 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide

5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 56747947) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
PubChem CID56747947
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C20H20FN3O2/c1-14(15-7-4-3-5-8-15)24(2)20(25)19-12-17(22-23-19)13-26-18-10-6-9-16(21)11-18/h3-12,14H,13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyUCUJGZMPRSXIRV-AWEZNQCLSA-N
XLogP3.96
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95559001
N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56757672
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide
CID 56750390
5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95219629
5-[(3-fluorophenoxy)methyl]-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56751025
N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562
5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56753574
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42595611
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone
CID 56742746
N-[(2-methylphenyl)methyl]-5-(phenoxymethyl)-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56755639

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide (CID 56747947) is 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide is C[C@@H](c1ccccc1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UCUJGZMPRSXIRV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(15-7-4-3-5-8-15)24(2)20(25)19-12-17(22-23-19)13-26-18-10-6-9-16(21)11-18/h3-12,14H,13H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56747947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).