2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide

C14H19F2N5O — CID 19535324

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)NCCCn1cccn1
InChIInChI=1S/C14H19F2N5O/c1-10-9-12(13(15)16)19-21(10)11(2)14(22)17-5-3-7-20-8-4-6-18-20/h4,6,8-9,11,13H,3,5,7H2,1-2H3,(H,17,22)
InChIKeyLSZPMIKNJGHZHU-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.09
Rot. Bonds7

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide (PubChem CID 19535324) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
PubChem CID19535324
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)NCCCn1cccn1
InChIInChI=1S/C14H19F2N5O/c1-10-9-12(13(15)16)19-21(10)11(2)14(22)17-5-3-7-20-8-4-6-18-20/h4,6,8-9,11,13H,3,5,7H2,1-2H3,(H,17,22)
InChIKeyLSZPMIKNJGHZHU-UHFFFAOYSA-N
XLogP2.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.09
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

N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539526
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535930
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 124616477
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 19520507
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19535319
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19332314
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 19539415
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19531769
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19532978

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide (CID 19535324) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide is Cc1cc(C(F)F)nn1C(C)C(=O)NCCCn1cccn1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
The InChIKey is LSZPMIKNJGHZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-10-9-12(13(15)16)19-21(10)11(2)14(22)17-5-3-7-20-8-4-6-18-20/h4,6,8-9,11,13H,3,5,7H2,1-2H3,(H,17,22).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 311.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 19535324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).