N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

C16H25F6IN6 — CID 109378316

IUPACN-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cn(C)nc1C(F)(F)F)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C16H24F6N6.HI/c1-4-23-14(24-9-12-10-26(3)25-13(12)16(20,21)22)28-7-5-27(6-8-28)11(2)15(17,18)19;/h10-11H,4-9H2,1-3H3,(H,23,24);1H
InChIKeyUARDGHBJTOFZSP-UHFFFAOYSA-N
MW542.31 g/mol
LogP3.09
Rot. Bonds4

About N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 109378316) has the molecular formula C16H25F6IN6 and a molecular weight of 542.31 g/mol. Its IUPAC name is N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID109378316
Molecular FormulaC16H25F6IN6
Molecular Weight542.31 g/mol
Exact Mass542.11
IUPAC NameN-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cn(C)nc1C(F)(F)F)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C16H24F6N6.HI/c1-4-23-14(24-9-12-10-26(3)25-13(12)16(20,21)22)28-7-5-27(6-8-28)11(2)15(17,18)19;/h10-11H,4-9H2,1-3H3,(H,23,24);1H
InChIKeyUARDGHBJTOFZSP-UHFFFAOYSA-N
XLogP3.09
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
CID 57640345
1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine
CID 82511702
1-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 82511703
2-[5-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 137255790
N-(2-methylpropyl)-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
CID 140512986
ethane;N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
CID 143113277
4-methyl-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 150103891
2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
CID 150113032
2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
CID 150446409
4-methyl-2-N-[3-methyl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 150447431
4-methyl-2-N-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 150609663
4-ethyl-2-N-[5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 150749748

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 109378316) is N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1cn(C)nc1C(F)(F)F)N1CCN(C(C)C(F)(F)F)CC1.I.
What is the InChIKey of N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is UARDGHBJTOFZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6N6.HI/c1-4-23-14(24-9-12-10-26(3)25-13(12)16(20,21)22)28-7-5-27(6-8-28)11(2)15(17,18)19;/h10-11H,4-9H2,1-3H3,(H,23,24);1H.
What are the key properties of N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 542.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109378316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).