3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide

C25H23FN4O2 — CID 42850574

IUPAC3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)NCc1cccnc1
InChIInChI=1S/C25H23FN4O2/c1-18-23(13-14-24(31)28-17-19-6-5-15-27-16-19)25(32-22-7-3-2-4-8-22)30(29-18)21-11-9-20(26)10-12-21/h2-12,15-16H,13-14,17H2,1H3,(H,28,31)
InChIKeyCSQQWYLAURGAPD-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.76
Rot. Bonds8

About 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide

3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42850574) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42850574
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)NCc1cccnc1
InChIInChI=1S/C25H23FN4O2/c1-18-23(13-14-24(31)28-17-19-6-5-15-27-16-19)25(32-22-7-3-2-4-8-22)30(29-18)21-11-9-20(26)10-12-21/h2-12,15-16H,13-14,17H2,1H3,(H,28,31)
InChIKeyCSQQWYLAURGAPD-UHFFFAOYSA-N
XLogP4.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 46042798
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
CID 46043146
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850588
N-(furan-2-ylmethyl)-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 42796779
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850586
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46042713

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 42850574) is 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide is Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)NCc1cccnc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is CSQQWYLAURGAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-18-23(13-14-24(31)28-17-19-6-5-15-27-16-19)25(32-22-7-3-2-4-8-22)30(29-18)21-11-9-20(26)10-12-21/h2-12,15-16H,13-14,17H2,1H3,(H,28,31).
What are the key properties of 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 430.48 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42850574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).