N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

C16H16N10O — CID 146041158

IUPACN-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC(CCn1cncn1)c1ccccc1)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C16H16N10O/c27-16(14-8-15(22-21-14)26-11-18-23-24-26)20-13(12-4-2-1-3-5-12)6-7-25-10-17-9-19-25/h1-5,8-11,13H,6-7H2,(H,20,27)(H,21,22)
InChIKeyCUKCZMNZQFDULI-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.54
Rot. Bonds7

About N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 146041158) has the molecular formula C16H16N10O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID146041158
Molecular FormulaC16H16N10O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC(CCn1cncn1)c1ccccc1)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C16H16N10O/c27-16(14-8-15(22-21-14)26-11-18-23-24-26)20-13(12-4-2-1-3-5-12)6-7-25-10-17-9-19-25/h1-5,8-11,13H,6-7H2,(H,20,27)(H,21,22)
InChIKeyCUKCZMNZQFDULI-UHFFFAOYSA-N
XLogP0.54
TPSA132.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138809256
3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 90647997
N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97140479
7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 99995548
2-cyclopropyl-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 25301438
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
2-phenyl-4-(1,2,4-triazol-1-yl)butanoate
CID 19095984
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99999473
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96575326

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (CID 146041158) is N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is O=C(NC(CCn1cncn1)c1ccccc1)c1cc(-n2cnnn2)n[nH]1.
What is the InChIKey of N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is CUKCZMNZQFDULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N10O/c27-16(14-8-15(22-21-14)26-11-18-23-24-26)20-13(12-4-2-1-3-5-12)6-7-25-10-17-9-19-25/h1-5,8-11,13H,6-7H2,(H,20,27)(H,21,22).
What are the key properties of N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 146041158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).