2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide

C20H28FN3O2 — CID 86940688

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NC(COc2ccccc2F)C(C)(C)C)n1
InChIInChI=1S/C20H28FN3O2/c1-13-11-14(2)24(23-13)15(3)19(25)22-18(20(4,5)6)12-26-17-10-8-7-9-16(17)21/h7-11,15,18H,12H2,1-6H3,(H,22,25)
InChIKeyVSPMIQSDFBPYML-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.81
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide (PubChem CID 86940688) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide
PubChem CID86940688
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NC(COc2ccccc2F)C(C)(C)C)n1
InChIInChI=1S/C20H28FN3O2/c1-13-11-14(2)24(23-13)15(3)19(25)22-18(20(4,5)6)12-26-17-10-8-7-9-16(17)21/h7-11,15,18H,12H2,1-6H3,(H,22,25)
InChIKeyVSPMIQSDFBPYML-UHFFFAOYSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 86940680
N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 47992538
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
CID 86940685
N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
CID 86941025
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]thiomorpholine-4-carboxamide
CID 86941232
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2H-triazole-4-carboxamide
CID 96527038
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86940693
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 86940734
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide
CID 96567828
2,2-dichloro-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 86940721

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide (CID 86940688) is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide is Cc1cc(C)n(C(C)C(=O)NC(COc2ccccc2F)C(C)(C)C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide?
The InChIKey is VSPMIQSDFBPYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-13-11-14(2)24(23-13)15(3)19(25)22-18(20(4,5)6)12-26-17-10-8-7-9-16(17)21/h7-11,15,18H,12H2,1-6H3,(H,22,25).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide has a molecular weight of 361.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]propanamide is sourced from PubChem (CID 86940688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).