N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H18F3N5O — CID 847249

IUPACN-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H18F3N5O/c1-9-7-10(12(13,14)15)16-20(9)8-11(21)17-19-5-3-18(2)4-6-19/h7H,3-6,8H2,1-2H3,(H,17,21)
InChIKeyILVAVFGARYBYFB-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.49
Rot. Bonds3

About N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 847249) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID847249
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H18F3N5O/c1-9-7-10(12(13,14)15)16-20(9)8-11(21)17-19-5-3-18(2)4-6-19/h7H,3-6,8H2,1-2H3,(H,17,21)
InChIKeyILVAVFGARYBYFB-UHFFFAOYSA-N
XLogP0.49
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 821228
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CID 841522
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
1-(2-Methylpropyl)-3-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiourea
CID 4765761
1-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}-3,5-dimethyl-1H-pyrazole
CID 844732
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 720035
1-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinecarbothioamide
CID 58078897
5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
1-(2-Methylpiperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
CID 649724
N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 749632
2-[5-Methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 847249) is N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ILVAVFGARYBYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-9-7-10(12(13,14)15)16-20(9)8-11(21)17-19-5-3-18(2)4-6-19/h7H,3-6,8H2,1-2H3,(H,17,21).
What are the key properties of N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 847249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).