2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide

C15H24F2N4O — CID 139005200

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCN1CCCC1C
InChIInChI=1S/C15H24F2N4O/c1-10-5-4-7-20(10)8-6-18-14(22)9-13-11(2)19-21(12(13)3)15(16)17/h10,15H,4-9H2,1-3H3,(H,18,22)
InChIKeyFMPYNCAGABZUIS-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.04
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide (PubChem CID 139005200) has the molecular formula C15H24F2N4O and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide
PubChem CID139005200
Molecular FormulaC15H24F2N4O
Molecular Weight314.38 g/mol
Exact Mass314.19
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCN1CCCC1C
InChIInChI=1S/C15H24F2N4O/c1-10-5-4-7-20(10)8-6-18-14(22)9-13-11(2)19-21(12(13)3)15(16)17/h10,15H,4-9H2,1-3H3,(H,18,22)
InChIKeyFMPYNCAGABZUIS-UHFFFAOYSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
CID 49066002
N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
CID 48680303
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-2-ylmethyl)acetamide;hydrochloride
CID 86813758
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 110226445
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119575428
2-cyclopropyl-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119213672
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 86780066
N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride
CID 130686018
N-[2-(2-methylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 47352688
1,4-dimethyl-2-[2-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-2-oxoethyl]pyrrole-3-carboxylic acid
CID 95075944
5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246060

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide (CID 139005200) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCCN1CCCC1C.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is FMPYNCAGABZUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O/c1-10-5-4-7-20(10)8-6-18-14(22)9-13-11(2)19-21(12(13)3)15(16)17/h10,15H,4-9H2,1-3H3,(H,18,22).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 139005200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).