N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide

C17H24N6 — CID 110961985

IUPACN-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N6/c1-2-18-17(19-14-15-8-9-20-21-15)23-12-10-22(11-13-23)16-6-4-3-5-7-16/h3-9H,2,10-14H2,1H3,(H,18,19)(H,20,21)
InChIKeyWOHRKJCOKSIVKR-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.70
Rot. Bonds4

About N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide

N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide (PubChem CID 110961985) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
PubChem CID110961985
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N6/c1-2-18-17(19-14-15-8-9-20-21-15)23-12-10-22(11-13-23)16-6-4-3-5-7-16/h3-9H,2,10-14H2,1H3,(H,18,19)(H,20,21)
InChIKeyWOHRKJCOKSIVKR-UHFFFAOYSA-N
XLogP1.70
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.70
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-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206278
N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111185827
4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 109451521
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379113
N-ethyl-3,3-dimethyl-N'-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740109
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960789
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
CID 110962139
N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961404
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961774
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985025
N'-(cyclopropylmethyl)-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962040
N-ethyl-N'-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide (CID 110961985) is N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide is CCN/C(=N\Cc1ccn[nH]1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is WOHRKJCOKSIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-2-18-17(19-14-15-8-9-20-21-15)23-12-10-22(11-13-23)16-6-4-3-5-7-16/h3-9H,2,10-14H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 312.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 110961985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).