2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide

C13H19N5O — CID 131920894

IUPAC2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESCC(Cn1cccn1)C(=O)NCCCn1cccn1
InChIInChI=1S/C13H19N5O/c1-12(11-18-10-4-7-16-18)13(19)14-5-2-8-17-9-3-6-15-17/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3,(H,14,19)
InChIKeyGLUQNKOBMNNSCW-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.92
Rot. Bonds7

About 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide

2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide (PubChem CID 131920894) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
PubChem CID131920894
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESCC(Cn1cccn1)C(=O)NCCCn1cccn1
InChIInChI=1S/C13H19N5O/c1-12(11-18-10-4-7-16-18)13(19)14-5-2-8-17-9-3-6-15-17/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3,(H,14,19)
InChIKeyGLUQNKOBMNNSCW-UHFFFAOYSA-N
XLogP0.92
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19564188
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131902729
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 164630474
1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47221371
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide (CID 131920894) is 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide is CC(Cn1cccn1)C(=O)NCCCn1cccn1.
What is the InChIKey of 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide?
The InChIKey is GLUQNKOBMNNSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-12(11-18-10-4-7-16-18)13(19)14-5-2-8-17-9-3-6-15-17/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3,(H,14,19).
What are the key properties of 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide?
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 261.33 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 131920894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).