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

C17H20FN3O3 — CID 71933902

IUPACN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)C1CCOCC1
InChIInChI=1S/C17H20FN3O3/c1-11-15(19-16(22)12-6-8-23-9-7-12)17(21(2)20-11)24-14-5-3-4-13(18)10-14/h3-5,10,12H,6-9H2,1-2H3,(H,19,22)
InChIKeyYRNXGOUMPIHRNM-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.03
Rot. Bonds4

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

N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide (PubChem CID 71933902) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide
PubChem CID71933902
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)C1CCOCC1
InChIInChI=1S/C17H20FN3O3/c1-11-15(19-16(22)12-6-8-23-9-7-12)17(21(2)20-11)24-14-5-3-4-13(18)10-14/h3-5,10,12H,6-9H2,1-2H3,(H,19,22)
InChIKeyYRNXGOUMPIHRNM-UHFFFAOYSA-N
XLogP3.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-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
2-(2-fluorophenoxy)-N-({1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methyl)acetamide
CID 71808474
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide
CID 71934126
N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide
CID 71986246
1-[2-(4-Fluorophenoxy)ethyl]-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methylurea
CID 75443264

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide (CID 71933902) is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide is Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)C1CCOCC1.
What is the InChIKey of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide?
The InChIKey is YRNXGOUMPIHRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-15(19-16(22)12-6-8-23-9-7-12)17(21(2)20-11)24-14-5-3-4-13(18)10-14/h3-5,10,12H,6-9H2,1-2H3,(H,19,22).
What are the key properties of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide?
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 71933902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).