N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide

C20H27N3O4 — CID 91546462

IUPACN,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide
SMILESCCN(CC)C(=O)Cc1cc(-c2ccc(OC)c(OC3CCCO3)c2)n[nH]1
InChIInChI=1S/C20H27N3O4/c1-4-23(5-2)19(24)13-15-12-16(22-21-15)14-8-9-17(25-3)18(11-14)27-20-7-6-10-26-20/h8-9,11-12,20H,4-7,10,13H2,1-3H3,(H,21,22)
InChIKeyNFTJPYXMHCFICO-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.01
Rot. Bonds8

About N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide

N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide (PubChem CID 91546462) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide
PubChem CID91546462
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide
SMILESCCN(CC)C(=O)Cc1cc(-c2ccc(OC)c(OC3CCCO3)c2)n[nH]1
InChIInChI=1S/C20H27N3O4/c1-4-23(5-2)19(24)13-15-12-16(22-21-15)14-8-9-17(25-3)18(11-14)27-20-7-6-10-26-20/h8-9,11-12,20H,4-7,10,13H2,1-3H3,(H,21,22)
InChIKeyNFTJPYXMHCFICO-UHFFFAOYSA-N
XLogP3.01
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]acetic acid
CID 21106837
ethyl 2-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 11395869
ethyl 1-benzyl-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole-3-carboxylate
CID 21106863
4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine
CID 11175564
4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]aniline
CID 11257068
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]ethanone
CID 11362524
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
CID 21106798
[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-3-(trifluoromethyl)pyrazol-1-yl] 3-methylbutanoate
CID 91238727
3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide
CID 68712752
N-benzyl-2-[2,5-bis(oxan-2-yloxy)phenyl]-N-ethylacetamide
CID 100975330
1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole
CID 11314519
1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole
CID 21106724

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide (CID 91546462) is N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide is CCN(CC)C(=O)Cc1cc(-c2ccc(OC)c(OC3CCCO3)c2)n[nH]1.
What is the InChIKey of N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide?
The InChIKey is NFTJPYXMHCFICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-23(5-2)19(24)13-15-12-16(22-21-15)14-8-9-17(25-3)18(11-14)27-20-7-6-10-26-20/h8-9,11-12,20H,4-7,10,13H2,1-3H3,(H,21,22).
What are the key properties of N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide?
N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide has a molecular weight of 373.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 91546462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).