N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide

C13H12N6O2 — CID 83090123

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C13H12N6O2/c1-21-13-16-12(17-18-13)15-11(20)9-3-5-10(6-4-9)19-8-2-7-14-19/h2-8H,1H3,(H2,15,16,17,18,20)
InChIKeyPOBDIKSAEWTNAM-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.25
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide (PubChem CID 83090123) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
PubChem CID83090123
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C13H12N6O2/c1-21-13-16-12(17-18-13)15-11(20)9-3-5-10(6-4-9)19-8-2-7-14-19/h2-8H,1H3,(H2,15,16,17,18,20)
InChIKeyPOBDIKSAEWTNAM-UHFFFAOYSA-N
XLogP1.25
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83093226
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-propan-2-ylbenzamide
CID 83086635
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 83090269
4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83101910
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
CID 83097160
N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 60968230
N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 83092476
N-(6-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzamide
CID 35505245
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 83102385
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 83092289

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide (CID 83090123) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide is COc1n[nH]c(NC(=O)c2ccc(-n3cccn3)cc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide?
The InChIKey is POBDIKSAEWTNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-21-13-16-12(17-18-13)15-11(20)9-3-5-10(6-4-9)19-8-2-7-14-19/h2-8H,1H3,(H2,15,16,17,18,20).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide has a molecular weight of 284.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 83090123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).