N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide

C16H20FN3O2 — CID 71934130

IUPACN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)CC(C)C
InChIInChI=1S/C16H20FN3O2/c1-10(2)8-14(21)18-15-11(3)19-20(4)16(15)22-13-7-5-6-12(17)9-13/h5-7,9-10H,8H2,1-4H3,(H,18,21)
InChIKeyZBECVSCEMZURFN-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.64
Rot. Bonds5

About N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide

N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide (PubChem CID 71934130) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide
PubChem CID71934130
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)CC(C)C
InChIInChI=1S/C16H20FN3O2/c1-10(2)8-14(21)18-15-11(3)19-20(4)16(15)22-13-7-5-6-12(17)9-13/h5-7,9-10H,8H2,1-4H3,(H,18,21)
InChIKeyZBECVSCEMZURFN-UHFFFAOYSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl {3,5-dimethyl-4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}acetate
CID 1506939
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-2,2-dimethylpropanamide
CID 3774757
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-3-methylbutanamide
CID 5164871
N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 37361221
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide
CID 39853786
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 39854000
2-Phenoxy-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 42894059
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-(4-fluorophenoxy)ethyl)acetamide
CID 49670609
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-2-(2-fluorophenoxy)acetamide
CID 49738312
3-[(1,3-Dimethyl-5-phenoxypyrazol-4-yl)methylamino]azepan-2-one
CID 53580404
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 71808577
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide
CID 71933902

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide?
The IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide (CID 71934130) is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide is Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)CC(C)C.
What is the InChIKey of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide?
The InChIKey is ZBECVSCEMZURFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10(2)8-14(21)18-15-11(3)19-20(4)16(15)22-13-7-5-6-12(17)9-13/h5-7,9-10H,8H2,1-4H3,(H,18,21).
What are the key properties of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide?
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide has a molecular weight of 305.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methylbutanamide is sourced from PubChem (CID 71934130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).