N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide

C16H27N3O3 — CID 56789769

IUPACN-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCC(C)CC(C)n1nccc1NC(=O)COCC1CCCO1
InChIInChI=1S/C16H27N3O3/c1-12(2)9-13(3)19-15(6-7-17-19)18-16(20)11-21-10-14-5-4-8-22-14/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyCZIFRTDQKDVAMK-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.62
Rot. Bonds8

About N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide

N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 56789769) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID56789769
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCC(C)CC(C)n1nccc1NC(=O)COCC1CCCO1
InChIInChI=1S/C16H27N3O3/c1-12(2)9-13(3)19-15(6-7-17-19)18-16(20)11-21-10-14-5-4-8-22-14/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyCZIFRTDQKDVAMK-UHFFFAOYSA-N
XLogP2.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate
CID 164642629
N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126832557
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831946
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785834
ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
CID 71852773
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868489
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide (CID 56789769) is N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide is CC(C)CC(C)n1nccc1NC(=O)COCC1CCCO1.
What is the InChIKey of N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is CZIFRTDQKDVAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(2)9-13(3)19-15(6-7-17-19)18-16(20)11-21-10-14-5-4-8-22-14/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide?
N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 56789769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).