N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide

C11H11ClN6 — CID 131747485

IUPACN'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(Cl)cc1)n1cccn1
InChIInChI=1S/C11H11ClN6/c12-8-2-4-9(5-3-8)16-10(13)17-11(14)18-7-1-6-15-18/h1-7H,(H4,13,14,16,17)
InChIKeyRNZUJZSRKUYOHY-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.35
Rot. Bonds1

About N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide

N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide (PubChem CID 131747485) has the molecular formula C11H11ClN6 and a molecular weight of 262.70 g/mol. Its IUPAC name is N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide
PubChem CID131747485
Molecular FormulaC11H11ClN6
Molecular Weight262.70 g/mol
Exact Mass262.07
IUPAC NameN'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(Cl)cc1)n1cccn1
InChIInChI=1S/C11H11ClN6/c12-8-2-4-9(5-3-8)16-10(13)17-11(14)18-7-1-6-15-18/h1-7H,(H4,13,14,16,17)
InChIKeyRNZUJZSRKUYOHY-UHFFFAOYSA-N
XLogP1.35
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.35
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

bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
CID 70021727
N'-chloropyrazole-1-carboximidamide
CID 74767935
2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
CID 123842816
(4-chlorophenyl)-pyrazol-1-ylmethanone
CID 4289053
N-[4-[[N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]phenyl]acetamide
CID 54149924
N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide
CID 21300079
methyl N-[amino(pyrazol-1-yl)methylidene]carbamate
CID 72641374
4-chloro-N'-(4-chlorophenyl)benzenecarboximidamide
CID 11737167
2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168602563
2-(2-methoxyethoxy)ethyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate
CID 15068516
N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide?
The IUPAC name of N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide (CID 131747485) is N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide.
What is the SMILES notation for N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide?
The canonical SMILES for N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide is NC(=N/C(N)=N/c1ccc(Cl)cc1)n1cccn1.
What is the InChIKey of N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide?
The InChIKey is RNZUJZSRKUYOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6/c12-8-2-4-9(5-3-8)16-10(13)17-11(14)18-7-1-6-15-18/h1-7H,(H4,13,14,16,17).
What are the key properties of N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide?
N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide has a molecular weight of 262.70 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide is sourced from PubChem (CID 131747485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).