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

C12H15F2N5O — CID 19516555

IUPAC2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1cc(C(F)F)n(CC(=O)NCc2cnn(C)c2)n1
InChIInChI=1S/C12H15F2N5O/c1-8-3-10(12(13)14)19(17-8)7-11(20)15-4-9-5-16-18(2)6-9/h3,5-6,12H,4,7H2,1-2H3,(H,15,20)
InChIKeyHBTRLNGBRBOWGD-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.18
Rot. Bonds5

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

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 19516555) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID19516555
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1cc(C(F)F)n(CC(=O)NCc2cnn(C)c2)n1
InChIInChI=1S/C12H15F2N5O/c1-8-3-10(12(13)14)19(17-8)7-11(20)15-4-9-5-16-18(2)6-9/h3,5-6,12H,4,7H2,1-2H3,(H,15,20)
InChIKeyHBTRLNGBRBOWGD-UHFFFAOYSA-N
XLogP1.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19521275
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19516533
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 19516733
N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516578
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19516744
N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516489
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19516627
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569715
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61350617
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19531509
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
CID 19516753
2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 61349459

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 19516555) is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide is Cc1cc(C(F)F)n(CC(=O)NCc2cnn(C)c2)n1.
What is the InChIKey of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is HBTRLNGBRBOWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-8-3-10(12(13)14)19(17-8)7-11(20)15-4-9-5-16-18(2)6-9/h3,5-6,12H,4,7H2,1-2H3,(H,15,20).
What are the key properties of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 283.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19516555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).