N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

C14H21F3N5O+ — CID 2356276

IUPACN'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESCCC[NH+]1CC=C(NNC(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H20F3N5O/c1-2-6-21-7-3-11(4-8-21)18-19-13(23)10-22-9-5-12(20-22)14(15,16)17/h3,5,9,18H,2,4,6-8,10H2,1H3,(H,19,23)/p+1
InChIKeyUOCPGYPAEAEYGD-UHFFFAOYSA-O
MW332.35 g/mol
LogP0.11
Rot. Bonds6

About N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 2356276) has the molecular formula C14H21F3N5O+ and a molecular weight of 332.35 g/mol. Its IUPAC name is N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID2356276
Molecular FormulaC14H21F3N5O+
Molecular Weight332.35 g/mol
Exact Mass332.17
IUPAC NameN'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESCCC[NH+]1CC=C(NNC(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H20F3N5O/c1-2-6-21-7-3-11(4-8-21)18-19-13(23)10-22-9-5-12(20-22)14(15,16)17/h3,5,9,18H,2,4,6-8,10H2,1H3,(H,19,23)/p+1
InChIKeyUOCPGYPAEAEYGD-UHFFFAOYSA-O
XLogP0.11
TPSA63.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 1231820
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CID 2064142
N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
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N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
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CID 6219663
N-(4-methyl-1-piperazinyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 847249
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CID 4350479
N-(2-aminoethyl)-2-(5-methyl-1H-pyrazol-1-yl)acetamide
CID 7017753
N-[(E)-hexan-2-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9658809
N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide
CID 39948535
n-(Tert-pentyl)-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 45794451
N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 99815969

Frequently Asked Questions

What is the IUPAC name of N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (CID 2356276) is N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is CCC[NH+]1CC=C(NNC(=O)Cn2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is UOCPGYPAEAEYGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20F3N5O/c1-2-6-21-7-3-11(4-8-21)18-19-13(23)10-22-9-5-12(20-22)14(15,16)17/h3,5,9,18H,2,4,6-8,10H2,1H3,(H,19,23)/p+1.
What are the key properties of N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 332.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 2356276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).