2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide

C12H15F2N5O — CID 110243350

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H15F2N5O/c1-7-5-9(11(13)14)18-19(7)8(2)12(20)17-6-10-15-3-4-16-10/h3-5,8,11H,6H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyYCNJXNBAKHEZDT-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.73
Rot. Bonds5

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide (PubChem CID 110243350) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide
PubChem CID110243350
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H15F2N5O/c1-7-5-9(11(13)14)18-19(7)8(2)12(20)17-6-10-15-3-4-16-10/h3-5,8,11H,6H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyYCNJXNBAKHEZDT-UHFFFAOYSA-N
XLogP1.73
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91911715
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 2860962
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53605638
3-(2-methyl-1H-imidazol-1-yl)-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide
CID 70781862
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2-(1H-pyrazol-1-yl)butanamide
CID 72895949
2-(2-isopropyl-1H-imidazol-1-yl)-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}propanamide
CID 72899172
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-(1H-pyrazol-1-yl)butanamide
CID 72921885
N-{2-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91911703
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 92553785
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110226389
N-[2-(2-cyclobutyl-5-methylimidazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 124048967

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide (CID 110243350) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide is Cc1cc(C(F)F)nn1C(C)C(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide?
The InChIKey is YCNJXNBAKHEZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-7-5-9(11(13)14)18-19(7)8(2)12(20)17-6-10-15-3-4-16-10/h3-5,8,11H,6H2,1-2H3,(H,15,16)(H,17,20).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide has a molecular weight of 283.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide is sourced from PubChem (CID 110243350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).