3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide

C23H25N7O — CID 171132478

IUPAC3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C23H25N7O/c1-16-21(17(2)29(3)26-16)13-19-9-11-20(12-10-19)25-23(31)22(30-15-24-27-28-30)14-18-7-5-4-6-8-18/h4-12,15,22H,13-14H2,1-3H3,(H,25,31)
InChIKeyJMDVXWRTQYDLNU-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.04
Rot. Bonds7

About 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide

3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide (PubChem CID 171132478) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
PubChem CID171132478
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C23H25N7O/c1-16-21(17(2)29(3)26-16)13-19-9-11-20(12-10-19)25-23(31)22(30-15-24-27-28-30)14-18-7-5-4-6-8-18/h4-12,15,22H,13-14H2,1-3H3,(H,25,31)
InChIKeyJMDVXWRTQYDLNU-UHFFFAOYSA-N
XLogP3.04
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide (CID 171132478) is 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide is Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)cc1.
What is the InChIKey of 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide?
The InChIKey is JMDVXWRTQYDLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-16-21(17(2)29(3)26-16)13-19-9-11-20(12-10-19)25-23(31)22(30-15-24-27-28-30)14-18-7-5-4-6-8-18/h4-12,15,22H,13-14H2,1-3H3,(H,25,31).
What are the key properties of 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide?
3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide has a molecular weight of 415.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 171132478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).