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

C13H20F3N5O — CID 4770051

IUPACN-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H20F3N5O/c1-9-8-11(13(14,15)16)17-21(9)10(2)12(22)18-20-6-4-19(3)5-7-20/h8,10H,4-7H2,1-3H3,(H,18,22)
InChIKeyAGOMAGZDWVDXJV-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.05
Rot. Bonds3

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

N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4770051) has the molecular formula C13H20F3N5O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4770051
Molecular FormulaC13H20F3N5O
Molecular Weight319.33 g/mol
Exact Mass319.16
IUPAC NameN-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H20F3N5O/c1-9-8-11(13(14,15)16)17-21(9)10(2)12(22)18-20-6-4-19(3)5-7-20/h8,10H,4-7H2,1-3H3,(H,18,22)
InChIKeyAGOMAGZDWVDXJV-UHFFFAOYSA-N
XLogP1.05
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
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2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
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1-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinecarbothioamide
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5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
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2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
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2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide
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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]propanamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4770051) is N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is AGOMAGZDWVDXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5O/c1-9-8-11(13(14,15)16)17-21(9)10(2)12(22)18-20-6-4-19(3)5-7-20/h8,10H,4-7H2,1-3H3,(H,18,22).
What are the key properties of N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 319.33 g/mol, XLogP of 1.05, 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]propanamide is sourced from PubChem (CID 4770051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).