N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

C16H17FN6O — CID 46993791

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)CCn1cncn1
InChIInChI=1S/C16H17FN6O/c1-22(15(24)6-7-23-11-18-10-20-23)9-13-8-19-21-16(13)12-2-4-14(17)5-3-12/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,21)
InChIKeyGLYGUSSPBNELPC-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.86
Rot. Bonds6

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 46993791) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID46993791
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)CCn1cncn1
InChIInChI=1S/C16H17FN6O/c1-22(15(24)6-7-23-11-18-10-20-23)9-13-8-19-21-16(13)12-2-4-14(17)5-3-12/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,21)
InChIKeyGLYGUSSPBNELPC-UHFFFAOYSA-N
XLogP1.86
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 46993791) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)CCn1cncn1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is GLYGUSSPBNELPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-22(15(24)6-7-23-11-18-10-20-23)9-13-8-19-21-16(13)12-2-4-14(17)5-3-12/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 328.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 46993791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).