2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide

C16H14N8O — CID 90648596

IUPAC2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1cnn2cccnc12
InChIInChI=1S/C16H14N8O/c25-14(18-9-13-10-19-23-8-4-7-17-16(13)23)11-24-21-15(20-22-24)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,25)
InChIKeyUOCKDKAAZDUPGB-UHFFFAOYSA-N
MW334.34 g/mol
LogP0.70
Rot. Bonds5

About 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide

2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (PubChem CID 90648596) has the molecular formula C16H14N8O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
PubChem CID90648596
Molecular FormulaC16H14N8O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1cnn2cccnc12
InChIInChI=1S/C16H14N8O/c25-14(18-9-13-10-19-23-8-4-7-17-16(13)23)11-24-21-15(20-22-24)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,25)
InChIKeyUOCKDKAAZDUPGB-UHFFFAOYSA-N
XLogP0.70
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 39470681
2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51284749
4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
CID 86286976
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
(3R)-3-(4-methoxyphenyl)-3-phenyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 97282762
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide
CID 90653539
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 51130312
2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 119069253
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (CID 90648596) is 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCc1cnn2cccnc12.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The InChIKey is UOCKDKAAZDUPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O/c25-14(18-9-13-10-19-23-8-4-7-17-16(13)23)11-24-21-15(20-22-24)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,25).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is sourced from PubChem (CID 90648596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).