N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide

C20H19N7O — CID 46988207

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H19N7O/c1-15-12-18(26(23-15)13-16-8-4-2-5-9-16)21-19(28)14-27-24-20(22-25-27)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,21,28)
InChIKeyDQUTZCACBCAFJJ-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.53
Rot. Bonds6

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 46988207) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID46988207
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H19N7O/c1-15-12-18(26(23-15)13-16-8-4-2-5-9-16)21-19(28)14-27-24-20(22-25-27)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,21,28)
InChIKeyDQUTZCACBCAFJJ-UHFFFAOYSA-N
XLogP2.53
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 2814962
CID 2814962
CID 2815275
CID 2815275
CID 135418904
CID 135418904
CID 65695
CID 65695
CID 2815489
CID 2815489
CID 44286313
CID 44286313
CID 48750778
CID 48750778
CID 49862286
CID 49862286
CID 135975090
CID 135975090
CID 653865
CID 653865
CID 2104017
CID 2104017
CID 2334593
CID 2334593

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 46988207) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is DQUTZCACBCAFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-15-12-18(26(23-15)13-16-8-4-2-5-9-16)21-19(28)14-27-24-20(22-25-27)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,21,28).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 46988207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).