N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide

C16H19N7O — CID 155520939

IUPACN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C(C)C)n1
InChIInChI=1S/C16H19N7O/c1-11(2)23-14(9-12(3)19-23)17-15(24)10-22-20-16(18-21-22)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,17,24)
InChIKeyXJJBVDZYMLZFGA-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.06
Rot. Bonds5

About N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 155520939) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID155520939
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C(C)C)n1
InChIInChI=1S/C16H19N7O/c1-11(2)23-14(9-12(3)19-23)17-15(24)10-22-20-16(18-21-22)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,17,24)
InChIKeyXJJBVDZYMLZFGA-UHFFFAOYSA-N
XLogP2.06
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 4695351
N-tert-butyl-2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026492
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 155520939) is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C(C)C)n1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is XJJBVDZYMLZFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-11(2)23-14(9-12(3)19-23)17-15(24)10-22-20-16(18-21-22)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,17,24).
What are the key properties of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 325.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 155520939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).