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

C14H19F2N5O — CID 56869396

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cn1nc(C(F)F)cc1C)c1ccnn1C
InChIInChI=1S/C14H19F2N5O/c1-4-10(12-5-6-17-20(12)3)18-13(22)8-21-9(2)7-11(19-21)14(15)16/h5-7,10,14H,4,8H2,1-3H3,(H,18,22)
InChIKeyIZXSBBHLJVATEZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.13
Rot. Bonds6

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

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (PubChem CID 56869396) 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-[1-(2-methylpyrazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
PubChem CID56869396
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cn1nc(C(F)F)cc1C)c1ccnn1C
InChIInChI=1S/C14H19F2N5O/c1-4-10(12-5-6-17-20(12)3)18-13(22)8-21-9(2)7-11(19-21)14(15)16/h5-7,10,14H,4,8H2,1-3H3,(H,18,22)
InChIKeyIZXSBBHLJVATEZ-UHFFFAOYSA-N
XLogP2.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770006
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770840
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531231
1-[(1-Propan-2-ylpyrazol-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71989902
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 843910
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
CID 6499045
2-[5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(1,5-dimethyl-1H-pyrazol-4-YL)acetamide
CID 843717
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4772550
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (CID 56869396) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is CCC(NC(=O)Cn1nc(C(F)F)cc1C)c1ccnn1C.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The InChIKey is IZXSBBHLJVATEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-4-10(12-5-6-17-20(12)3)18-13(22)8-21-9(2)7-11(19-21)14(15)16/h5-7,10,14H,4,8H2,1-3H3,(H,18,22).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.13, 6 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-[1-(2-methylpyrazol-3-yl)propyl]acetamide is sourced from PubChem (CID 56869396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).