N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide

C16H18N6O — CID 131928417

IUPACN-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
SMILESCCCn1cnnc1CNC(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C16H18N6O/c1-2-9-21-12-18-20-15(21)11-17-16(23)13-6-3-4-7-14(13)22-10-5-8-19-22/h3-8,10,12H,2,9,11H2,1H3,(H,17,23)
InChIKeyALXYPAGVBNBEFE-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.80
Rot. Bonds6

About N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide

N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide (PubChem CID 131928417) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
PubChem CID131928417
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
SMILESCCCn1cnnc1CNC(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C16H18N6O/c1-2-9-21-12-18-20-15(21)11-17-16(23)13-6-3-4-7-14(13)22-10-5-8-19-22/h3-8,10,12H,2,9,11H2,1H3,(H,17,23)
InChIKeyALXYPAGVBNBEFE-UHFFFAOYSA-N
XLogP1.80
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
CID 106303592
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
CID 86824371
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
CID 131910883
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
CID 86823053
2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 62181122
N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 119072689
N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
CID 166323321
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 103706853
N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-pyrazol-1-ylbenzamide
CID 26400669
2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 135106836

Frequently Asked Questions

What is the IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide (CID 131928417) is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide is CCCn1cnnc1CNC(=O)c1ccccc1-n1cccn1.
What is the InChIKey of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is ALXYPAGVBNBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-2-9-21-12-18-20-15(21)11-17-16(23)13-6-3-4-7-14(13)22-10-5-8-19-22/h3-8,10,12H,2,9,11H2,1H3,(H,17,23).
What are the key properties of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide?
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 310.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 131928417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).