N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide

C19H17N7O — CID 167840769

IUPACN-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cn[nH]c1-c1ccccc1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C19H17N7O/c1-12(14-8-5-9-15(10-14)18-23-25-26-24-18)19(27)21-16-11-20-22-17(16)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,22)(H,21,27)(H,23,24,25,26)
InChIKeyZYTXLZRZHSBZLY-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.00
Rot. Bonds5

About N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide

N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 167840769) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID167840769
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC NameN-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cn[nH]c1-c1ccccc1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C19H17N7O/c1-12(14-8-5-9-15(10-14)18-23-25-26-24-18)19(27)21-16-11-20-22-17(16)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,22)(H,21,27)(H,23,24,25,26)
InChIKeyZYTXLZRZHSBZLY-UHFFFAOYSA-N
XLogP3.00
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide (CID 167840769) is N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide is CC(C(=O)Nc1cn[nH]c1-c1ccccc1)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is ZYTXLZRZHSBZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-12(14-8-5-9-15(10-14)18-23-25-26-24-18)19(27)21-16-11-20-22-17(16)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,22)(H,21,27)(H,23,24,25,26).
What are the key properties of N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 359.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 167840769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).