N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C16H19N7O2 — CID 91839880

IUPACN-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCC(NC(=O)COc1cccc(-n2cnnn2)c1)c1ccnn1C
InChIInChI=1S/C16H19N7O2/c1-3-14(15-7-8-18-22(15)2)19-16(24)10-25-13-6-4-5-12(9-13)23-11-17-20-21-23/h4-9,11,14H,3,10H2,1-2H3,(H,19,24)
InChIKeyOZBYPKYCYWYLJV-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.04
Rot. Bonds7

About N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 91839880) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID91839880
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC NameN-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCC(NC(=O)COc1cccc(-n2cnnn2)c1)c1ccnn1C
InChIInChI=1S/C16H19N7O2/c1-3-14(15-7-8-18-22(15)2)19-16(24)10-25-13-6-4-5-12(9-13)23-11-17-20-21-23/h4-9,11,14H,3,10H2,1-2H3,(H,19,24)
InChIKeyOZBYPKYCYWYLJV-UHFFFAOYSA-N
XLogP1.04
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769152
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 40769723
N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768398
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769056
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 17438634
tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 11223596

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 91839880) is N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is CCC(NC(=O)COc1cccc(-n2cnnn2)c1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is OZBYPKYCYWYLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-3-14(15-7-8-18-22(15)2)19-16(24)10-25-13-6-4-5-12(9-13)23-11-17-20-21-23/h4-9,11,14H,3,10H2,1-2H3,(H,19,24).
What are the key properties of N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 341.38 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 91839880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).