N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide

C20H27N3O3 — CID 126792887

IUPACN-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide
SMILESCC(C)(C)n1nc(-c2ccccc2)cc1NC(=O)COCC1CCOC1
InChIInChI=1S/C20H27N3O3/c1-20(2,3)23-18(11-17(22-23)16-7-5-4-6-8-16)21-19(24)14-26-13-15-9-10-25-12-15/h4-8,11,15H,9-10,12-14H2,1-3H3,(H,21,24)
InChIKeySQSMFDDVFVOFKA-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.30
Rot. Bonds6

About N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide

N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide (PubChem CID 126792887) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide
PubChem CID126792887
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide
SMILESCC(C)(C)n1nc(-c2ccccc2)cc1NC(=O)COCC1CCOC1
InChIInChI=1S/C20H27N3O3/c1-20(2,3)23-18(11-17(22-23)16-7-5-4-6-8-16)21-19(24)14-26-13-15-9-10-25-12-15/h4-8,11,15H,9-10,12-14H2,1-3H3,(H,21,24)
InChIKeySQSMFDDVFVOFKA-UHFFFAOYSA-N
XLogP3.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-(oxolan-3-ylmethoxy)acetamide
CID 126766426
N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
CID 95346415
2-(oxolan-3-ylmethoxy)acetohydrazide
CID 63570032
2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide
CID 166373779
2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide
CID 51098791
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977204
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62381831
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide
CID 126770273
N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62384098
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
CID 114995904

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide?
The IUPAC name of N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide (CID 126792887) is N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide.
What is the SMILES notation for N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide?
The canonical SMILES for N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide is CC(C)(C)n1nc(-c2ccccc2)cc1NC(=O)COCC1CCOC1.
What is the InChIKey of N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide?
The InChIKey is SQSMFDDVFVOFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-20(2,3)23-18(11-17(22-23)16-7-5-4-6-8-16)21-19(24)14-26-13-15-9-10-25-12-15/h4-8,11,15H,9-10,12-14H2,1-3H3,(H,21,24).
What are the key properties of N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide?
N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide is sourced from PubChem (CID 126792887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).