N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide

C20H20N8O — CID 46997290

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3c(-c4ccccc4)ccnc3C)n2)n(C)n1
InChIInChI=1S/C20H20N8O/c1-13-11-17(27(3)24-13)22-18(29)12-28-25-20(23-26-28)19-14(2)21-10-9-16(19)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,29)
InChIKeyTZQFGOVYCHXAMK-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.39
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide (PubChem CID 46997290) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide
PubChem CID46997290
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3c(-c4ccccc4)ccnc3C)n2)n(C)n1
InChIInChI=1S/C20H20N8O/c1-13-11-17(27(3)24-13)22-18(29)12-28-25-20(23-26-28)19-14(2)21-10-9-16(19)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,29)
InChIKeyTZQFGOVYCHXAMK-UHFFFAOYSA-N
XLogP2.39
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 46992082
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 3738322
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 17443727
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide (CID 46997290) is N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide is Cc1cc(NC(=O)Cn2nnc(-c3c(-c4ccccc4)ccnc3C)n2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide?
The InChIKey is TZQFGOVYCHXAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-13-11-17(27(3)24-13)22-18(29)12-28-25-20(23-26-28)19-14(2)21-10-9-16(19)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,29).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide has a molecular weight of 388.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 46997290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).