N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide

C14H15N7O2 — CID 75490894

IUPACN-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
SMILESCn1cc(NC(=O)COc2ccc(-c3nnn(C)n3)cc2)cn1
InChIInChI=1S/C14H15N7O2/c1-20-8-11(7-15-20)16-13(22)9-23-12-5-3-10(4-6-12)14-17-19-21(2)18-14/h3-8H,9H2,1-2H3,(H,16,22)
InChIKeyDMMSRLCVOCFSOJ-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.63
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide

N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide (PubChem CID 75490894) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
PubChem CID75490894
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
SMILESCn1cc(NC(=O)COc2ccc(-c3nnn(C)n3)cc2)cn1
InChIInChI=1S/C14H15N7O2/c1-20-8-11(7-15-20)16-13(22)9-23-12-5-3-10(4-6-12)14-17-19-21(2)18-14/h3-8H,9H2,1-2H3,(H,16,22)
InChIKeyDMMSRLCVOCFSOJ-UHFFFAOYSA-N
XLogP0.63
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid
CID 86207484
(2S,3R)-3-methyl-2-[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]pentanoic acid
CID 91639558
N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
CID 123132730
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32603710
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 32610322
N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 32603422
N-(1-methylpyrazol-4-yl)-4-(4-methylsulfonylphenoxy)butanamide
CID 51096516
2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744497
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055385
N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055389

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide (CID 75490894) is N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide is Cn1cc(NC(=O)COc2ccc(-c3nnn(C)n3)cc2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide?
The InChIKey is DMMSRLCVOCFSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-20-8-11(7-15-20)16-13(22)9-23-12-5-3-10(4-6-12)14-17-19-21(2)18-14/h3-8H,9H2,1-2H3,(H,16,22).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide?
N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide has a molecular weight of 313.32 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 75490894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).