N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C15H22N8 — CID 111206278

IUPACN-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N8/c1-2-16-14(19-12-13-4-7-20-21-13)22-8-10-23(11-9-22)15-17-5-3-6-18-15/h3-7H,2,8-12H2,1H3,(H,16,19)(H,20,21)
InChIKeyDEIMDENWNKMZEV-UHFFFAOYSA-N
MW314.40 g/mol
LogP0.49
Rot. Bonds4

About N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 111206278) has the molecular formula C15H22N8 and a molecular weight of 314.40 g/mol. Its IUPAC name is N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID111206278
Molecular FormulaC15H22N8
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC NameN-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N8/c1-2-16-14(19-12-13-4-7-20-21-13)22-8-10-23(11-9-22)15-17-5-3-6-18-15/h3-7H,2,8-12H2,1H3,(H,16,19)(H,20,21)
InChIKeyDEIMDENWNKMZEV-UHFFFAOYSA-N
XLogP0.49
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 110961985
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'-[(4-chlorophenyl)methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207960
N'-[[4-(ethoxymethyl)phenyl]methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205453
N'-[[2-(ethoxymethyl)phenyl]methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206824
N-ethyl-N'-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205123
N-ethyl-N'-(naphthalen-1-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207780
N'-[(3-chlorophenyl)methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205634
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379113
N-ethyl-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207276
N'-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 111206278) is N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide is CCN/C(=N\Cc1ccn[nH]1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is DEIMDENWNKMZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8/c1-2-16-14(19-12-13-4-7-20-21-13)22-8-10-23(11-9-22)15-17-5-3-6-18-15/h3-7H,2,8-12H2,1H3,(H,16,19)(H,20,21).
What are the key properties of N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 314.40 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111206278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).