N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide

C17H25IN6O — CID 111185827

IUPACN-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccn[nH]1)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C17H24N6O.HI/c1-2-18-17(19-13-14-7-8-20-21-14)23-11-9-22(10-12-23)15-5-3-4-6-16(15)24;/h3-8,24H,2,9-13H2,1H3,(H,18,19)(H,20,21);1H
InChIKeyQQWWRXMUXBVGCT-UHFFFAOYSA-N
MW456.33 g/mol
LogP2.02
Rot. Bonds4

About N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide

N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111185827) has the molecular formula C17H25IN6O and a molecular weight of 456.33 g/mol. Its IUPAC name is N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111185827
Molecular FormulaC17H25IN6O
Molecular Weight456.33 g/mol
Exact Mass456.11
IUPAC NameN-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccn[nH]1)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C17H24N6O.HI/c1-2-18-17(19-13-14-7-8-20-21-14)23-11-9-22(10-12-23)15-5-3-4-6-16(15)24;/h3-8,24H,2,9-13H2,1H3,(H,18,19)(H,20,21);1H
InChIKeyQQWWRXMUXBVGCT-UHFFFAOYSA-N
XLogP2.02
TPSA79.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
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-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)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-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 110961985
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206278
4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 109451521
N-ethyl-N'-[(4-fluorophenyl)methyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111185043
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985025
N-ethyl-N'-(furan-2-ylmethyl)-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186043
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379113
N-ethyl-4-(2-hydroxyphenyl)-N'-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111186095
N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111511816
N-ethyl-4-(2-hydroxyphenyl)-N'-[(2-methoxy-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185985
N-ethyl-3,3-dimethyl-N'-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740109
N'-(cyclopropylmethyl)-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111184808

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide (CID 111185827) is N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccn[nH]1)N1CCN(c2ccccc2O)CC1.I.
What is the InChIKey of N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is QQWWRXMUXBVGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O.HI/c1-2-18-17(19-13-14-7-8-20-21-14)23-11-9-22(10-12-23)15-5-3-4-6-16(15)24;/h3-8,24H,2,9-13H2,1H3,(H,18,19)(H,20,21);1H.
What are the key properties of N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 456.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111185827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).