N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide

C16H18FN3O3 — CID 71934126

IUPACN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)C1CCCO1
InChIInChI=1S/C16H18FN3O3/c1-10-14(18-15(21)13-7-4-8-22-13)16(20(2)19-10)23-12-6-3-5-11(17)9-12/h3,5-6,9,13H,4,7-8H2,1-2H3,(H,18,21)
InChIKeyQWEGDQXABVWZMG-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.78
Rot. Bonds4

About N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide

N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 71934126) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide
PubChem CID71934126
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)C1CCCO1
InChIInChI=1S/C16H18FN3O3/c1-10-14(18-15(21)13-7-4-8-22-13)16(20(2)19-10)23-12-6-3-5-11(17)9-12/h3,5-6,9,13H,4,7-8H2,1-2H3,(H,18,21)
InChIKeyQWEGDQXABVWZMG-UHFFFAOYSA-N
XLogP2.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.78
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
ethyl (4-{[(4-methoxyphenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506940
2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354025
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
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-2-(2-fluorophenoxy)acetamide
CID 49738312
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxane-4-carboxamide
CID 71933902
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
ethyl (4-{[(2,4-difluorophenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506996
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-phenoxypropanamide
CID 49670898

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide (CID 71934126) is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide is Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)C1CCCO1.
What is the InChIKey of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide?
The InChIKey is QWEGDQXABVWZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-14(18-15(21)13-7-4-8-22-13)16(20(2)19-10)23-12-6-3-5-11(17)9-12/h3,5-6,9,13H,4,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide?
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]oxolane-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.78, 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]oxolane-2-carboxamide is sourced from PubChem (CID 71934126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).