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

C11H16N6O — CID 90648331

IUPACN,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(=O)N(C)Cc1ccn[nH]1
InChIInChI=1S/C11H16N6O/c1-9(5-17-8-12-7-14-17)11(18)16(2)6-10-3-4-13-15-10/h3-4,7-9H,5-6H2,1-2H3,(H,13,15)
InChIKeyHLTIRZFIVPHZND-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.30
Rot. Bonds5

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

N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 90648331) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID90648331
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(=O)N(C)Cc1ccn[nH]1
InChIInChI=1S/C11H16N6O/c1-9(5-17-8-12-7-14-17)11(18)16(2)6-10-3-4-13-15-10/h3-4,7-9H,5-6H2,1-2H3,(H,13,15)
InChIKeyHLTIRZFIVPHZND-UHFFFAOYSA-N
XLogP0.30
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 90648331) is N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(Cn1cncn1)C(=O)N(C)Cc1ccn[nH]1.
What is the InChIKey of N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is HLTIRZFIVPHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-9(5-17-8-12-7-14-17)11(18)16(2)6-10-3-4-13-15-10/h3-4,7-9H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 248.29 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 90648331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).