4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

C21H19N7O2 — CID 43071024

IUPAC4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1)n1cncn1
InChIInChI=1S/C21H19N7O2/c1-15(28-14-22-13-24-28)20(29)25-17-5-7-18(8-6-17)26-21(30)16-3-9-19(10-4-16)27-12-2-11-23-27/h2-15H,1H3,(H,25,29)(H,26,30)
InChIKeyNJWXBBBRRLPNTI-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.92
Rot. Bonds6

About 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (PubChem CID 43071024) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
PubChem CID43071024
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1)n1cncn1
InChIInChI=1S/C21H19N7O2/c1-15(28-14-22-13-24-28)20(29)25-17-5-7-18(8-6-17)26-21(30)16-3-9-19(10-4-16)27-12-2-11-23-27/h2-15H,1H3,(H,25,29)(H,26,30)
InChIKeyNJWXBBBRRLPNTI-UHFFFAOYSA-N
XLogP2.92
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[4-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51948969
2,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoxaline-6-carboxamide
CID 55652859
4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 55621765
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 43064394
3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064718
3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46431579
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (CID 43071024) is 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is CC(C(=O)Nc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1)n1cncn1.
What is the InChIKey of 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The InChIKey is NJWXBBBRRLPNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-15(28-14-22-13-24-28)20(29)25-17-5-7-18(8-6-17)26-21(30)16-3-9-19(10-4-16)27-12-2-11-23-27/h2-15H,1H3,(H,25,29)(H,26,30).
What are the key properties of 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide has a molecular weight of 401.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 43071024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).