2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

C14H19F2N5O — CID 19328075

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn(CCCNC(=O)Cn2nc(C(F)F)cc2C)c1
InChIInChI=1S/C14H19F2N5O/c1-10-7-18-20(8-10)5-3-4-17-13(22)9-21-11(2)6-12(19-21)14(15)16/h6-8,14H,3-5,9H2,1-2H3,(H,17,22)
InChIKeyBZNMTTYRMDSWDI-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.84
Rot. Bonds7

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 19328075) 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-(4-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
PubChem CID19328075
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn(CCCNC(=O)Cn2nc(C(F)F)cc2C)c1
InChIInChI=1S/C14H19F2N5O/c1-10-7-18-20(8-10)5-3-4-17-13(22)9-21-11(2)6-12(19-21)14(15)16/h6-8,14H,3-5,9H2,1-2H3,(H,17,22)
InChIKeyBZNMTTYRMDSWDI-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 9563596
1-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}-3,5-dimethyl-1H-pyrazole
CID 844732
N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6889397
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
CID 6889485
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4770341
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770006
2-(4-Iodo-3,5-dimethylpyrazolyl)-1-pyrazolylethan-1-one
CID 1511691
N-butyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 1877172

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (CID 19328075) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide is Cc1cnn(CCCNC(=O)Cn2nc(C(F)F)cc2C)c1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is BZNMTTYRMDSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-10-7-18-20(8-10)5-3-4-17-13(22)9-21-11(2)6-12(19-21)14(15)16/h6-8,14H,3-5,9H2,1-2H3,(H,17,22).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.84, 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-(4-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19328075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).