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

C15H19ClN6 — CID 111070192

IUPAC4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccn[nH]1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN6/c16-12-1-3-14(4-2-12)21-7-9-22(10-8-21)15(17)18-11-13-5-6-19-20-13/h1-6H,7-11H2,(H2,17,18)(H,19,20)
InChIKeySUFTZZWVWHRABR-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.70
Rot. Bonds3

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

4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide (PubChem CID 111070192) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
PubChem CID111070192
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccn[nH]1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN6/c16-12-1-3-14(4-2-12)21-7-9-22(10-8-21)15(17)18-11-13-5-6-19-20-13/h1-6H,7-11H2,(H2,17,18)(H,19,20)
InChIKeySUFTZZWVWHRABR-UHFFFAOYSA-N
XLogP1.70
TPSA73.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
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'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide
CID 111070206
4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
CID 119118862
4-(4-chlorophenyl)-N'-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperazine-1-carboximidamide
CID 122098088
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboximidamide
CID 111087001
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-4-(4-chlorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 120762630
4-(4-chlorophenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111048884
4-(4-chlorophenyl)-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111066058
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
N'-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111814916
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide (CID 111070192) is 4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide is N/C(=N\Cc1ccn[nH]1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is SUFTZZWVWHRABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6/c16-12-1-3-14(4-2-12)21-7-9-22(10-8-21)15(17)18-11-13-5-6-19-20-13/h1-6H,7-11H2,(H2,17,18)(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide?
4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 318.81 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111070192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).