4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide

C17H22F2N6 — CID 109451521

IUPAC4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn[nH]1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H22F2N6/c1-2-20-17(21-12-14-5-6-22-23-14)25-9-7-24(8-10-25)16-11-13(18)3-4-15(16)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyMWEWYRSCXKBLNG-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.98
Rot. Bonds4

About 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide

4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide (PubChem CID 109451521) has the molecular formula C17H22F2N6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
PubChem CID109451521
Molecular FormulaC17H22F2N6
Molecular Weight348.40 g/mol
Exact Mass348.19
IUPAC Name4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn[nH]1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H22F2N6/c1-2-20-17(21-12-14-5-6-22-23-14)25-9-7-24(8-10-25)16-11-13(18)3-4-15(16)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyMWEWYRSCXKBLNG-UHFFFAOYSA-N
XLogP1.98
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111185827
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206278
N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 110961985
4-(2,5-difluorophenyl)-N-ethyl-N'-prop-2-ynylpiperazine-1-carboximidamide
CID 109451231
4-(2,5-difluorophenyl)-N-ethyl-N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109450898
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-(2,5-difluorophenyl)-N-ethylpiperazine-1-carboximidamide
CID 109451501
4-(2,5-difluorophenyl)-N-ethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109450894
4-(2,5-difluorophenyl)-N-ethyl-N'-(2-methylsulfonylethyl)piperazine-1-carboximidamide
CID 109450547
4-(2,5-difluorophenyl)-N-ethyl-N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109451400
4-(2,5-difluorophenyl)-N'-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 109451625
4-(2,5-difluorophenyl)-N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 109450696
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379113

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide (CID 109451521) is 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide is CCN/C(=N\Cc1ccn[nH]1)N1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is MWEWYRSCXKBLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6/c1-2-20-17(21-12-14-5-6-22-23-14)25-9-7-24(8-10-25)16-11-13(18)3-4-15(16)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 348.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 109451521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).