N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide

C22H25N7O — CID 4774808

IUPACN-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C22H25N7O/c30-20(14-29-26-21(24-27-29)18-4-2-1-3-5-18)23-19-6-7-28(25-19)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-7,15-17H,8-14H2,(H,23,25,30)
InChIKeyIJSGCXNFBZQPOH-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.10
Rot. Bonds5

About N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 4774808) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID4774808
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC NameN-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C22H25N7O/c30-20(14-29-26-21(24-27-29)18-4-2-1-3-5-18)23-19-6-7-28(25-19)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-7,15-17H,8-14H2,(H,23,25,30)
InChIKeyIJSGCXNFBZQPOH-UHFFFAOYSA-N
XLogP3.10
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 4774808) is N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is IJSGCXNFBZQPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c30-20(14-29-26-21(24-27-29)18-4-2-1-3-5-18)23-19-6-7-28(25-19)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-7,15-17H,8-14H2,(H,23,25,30).
What are the key properties of N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 403.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 4774808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).