2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C14H22F3N5O — CID 155953925

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCc1c(CC(=O)NCC(N2CCNCC2)C(F)(F)F)cnn1C
InChIInChI=1S/C14H22F3N5O/c1-10-11(8-20-21(10)2)7-13(23)19-9-12(14(15,16)17)22-5-3-18-4-6-22/h8,12,18H,3-7,9H2,1-2H3,(H,19,23)
InChIKeyBPBQQQRTQDXVBR-UHFFFAOYSA-N
MW333.36 g/mol
LogP0.22
Rot. Bonds5

About 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 155953925) has the molecular formula C14H22F3N5O and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID155953925
Molecular FormulaC14H22F3N5O
Molecular Weight333.36 g/mol
Exact Mass333.18
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCc1c(CC(=O)NCC(N2CCNCC2)C(F)(F)F)cnn1C
InChIInChI=1S/C14H22F3N5O/c1-10-11(8-20-21(10)2)7-13(23)19-9-12(14(15,16)17)22-5-3-18-4-6-22/h8,12,18H,3-7,9H2,1-2H3,(H,19,23)
InChIKeyBPBQQQRTQDXVBR-UHFFFAOYSA-N
XLogP0.22
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 120812747
2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812458
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120810613
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812609
3-(2-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813332
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813836
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120813048
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810976

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 155953925) is 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is Cc1c(CC(=O)NCC(N2CCNCC2)C(F)(F)F)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is BPBQQQRTQDXVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O/c1-10-11(8-20-21(10)2)7-13(23)19-9-12(14(15,16)17)22-5-3-18-4-6-22/h8,12,18H,3-7,9H2,1-2H3,(H,19,23).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 333.36 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 155953925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).