N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide

C18H22FN3O2 — CID 75921275

IUPACN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCOC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)15-10-16(20-17(23)12-8-9-24-11-12)22(21-15)14-6-4-13(19)5-7-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyRHLLCKOQGLZXOY-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.28
Rot. Bonds3

About N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide (PubChem CID 75921275) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide
PubChem CID75921275
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCOC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)15-10-16(20-17(23)12-8-9-24-11-12)22(21-15)14-6-4-13(19)5-7-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyRHLLCKOQGLZXOY-UHFFFAOYSA-N
XLogP3.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122075912
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide
CID 42731482
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-(dimethylamino)piperidine-1-carboxamide
CID 126768402
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 46427982
3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine
CID 137395749
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 55760969
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-(oxane-4-carbonyl)-1,3-dihydroisoindol-5-yl]urea
CID 118194941
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072206
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-5-methoxypentanamide
CID 86871838
4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]butanoic acid
CID 122075911
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(3,5-difluorophenyl)urea
CID 162645586
(3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide
CID 95894266

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide?
The IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide (CID 75921275) is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2CCOC2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide?
The InChIKey is RHLLCKOQGLZXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-18(2,3)15-10-16(20-17(23)12-8-9-24-11-12)22(21-15)14-6-4-13(19)5-7-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,23).
What are the key properties of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide?
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide is sourced from PubChem (CID 75921275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).