N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide

C20H19N7O — CID 4774765

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(Cn2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C20H19N7O/c1-15-7-9-16(10-8-15)13-26-12-11-18(23-26)21-19(28)14-27-24-20(22-25-27)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,21,23,28)
InChIKeyCVMIGPIWZXBIOB-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.53
Rot. Bonds6

About N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 4774765) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID4774765
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(Cn2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C20H19N7O/c1-15-7-9-16(10-8-15)13-26-12-11-18(23-26)21-19(28)14-27-24-20(22-25-27)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,21,23,28)
InChIKeyCVMIGPIWZXBIOB-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

N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19284549
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3995748
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1169430
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 4774765) is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide is Cc1ccc(Cn2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is CVMIGPIWZXBIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-15-7-9-16(10-8-15)13-26-12-11-18(23-26)21-19(28)14-27-24-20(22-25-27)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,21,23,28).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-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-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 4774765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).