3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C13H20F3N5O — CID 120810613

IUPAC3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESO=C(CCn1cccn1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H20F3N5O/c14-13(15,16)11(20-8-4-17-5-9-20)10-18-12(22)2-7-21-6-1-3-19-21/h1,3,6,11,17H,2,4-5,7-10H2,(H,18,22)
InChIKeyWBTUPWHOBFJRCW-UHFFFAOYSA-N
MW319.33 g/mol
LogP0.23
Rot. Bonds6

About 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120810613) has the molecular formula C13H20F3N5O and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
PubChem CID120810613
Molecular FormulaC13H20F3N5O
Molecular Weight319.33 g/mol
Exact Mass319.16
IUPAC Name3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESO=C(CCn1cccn1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H20F3N5O/c14-13(15,16)11(20-8-4-17-5-9-20)10-18-12(22)2-7-21-6-1-3-19-21/h1,3,6,11,17H,2,4-5,7-10H2,(H,18,22)
InChIKeyWBTUPWHOBFJRCW-UHFFFAOYSA-N
XLogP0.23
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 120811822
N-(2-oxo-2-piperazin-1-ylethyl)-3-pyrazol-1-ylpropanamide
CID 61176642
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120810575
2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 155953925
3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide
CID 120813243
3-(2-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813332
2-[3-(trifluoromethyl)pyrazol-1-yl]-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810872
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120810710
2-(4-nitropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813291
3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120810770

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120810613) is 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is O=C(CCn1cccn1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The InChIKey is WBTUPWHOBFJRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5O/c14-13(15,16)11(20-8-4-17-5-9-20)10-18-12(22)2-7-21-6-1-3-19-21/h1,3,6,11,17H,2,4-5,7-10H2,(H,18,22).
What are the key properties of 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 319.33 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120810613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).