N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide

C11H16N6O — CID 112690542

IUPACN-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCc1cc(NC(=O)C(C)n2cncn2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-3-4-9-5-10(16-15-9)14-11(18)8(2)17-7-12-6-13-17/h5-8H,3-4H2,1-2H3,(H2,14,15,16,18)
InChIKeyNRAFWMNISHIULU-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.15
Rot. Bonds5

About N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide

N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 112690542) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID112690542
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCc1cc(NC(=O)C(C)n2cncn2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-3-4-9-5-10(16-15-9)14-11(18)8(2)17-7-12-6-13-17/h5-8H,3-4H2,1-2H3,(H2,14,15,16,18)
InChIKeyNRAFWMNISHIULU-UHFFFAOYSA-N
XLogP1.15
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 112690542) is N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide is CCCc1cc(NC(=O)C(C)n2cncn2)n[nH]1.
What is the InChIKey of N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NRAFWMNISHIULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-4-9-5-10(16-15-9)14-11(18)8(2)17-7-12-6-13-17/h5-8H,3-4H2,1-2H3,(H2,14,15,16,18).
What are the key properties of N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 248.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 112690542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).