N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide

C11H13BrN4 — CID 45261207

IUPACN'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C11H12N4.BrH/c1-8(12)14-10-4-2-9(3-5-10)11-6-7-13-15-11;/h2-7H,1H3,(H2,12,14)(H,13,15);1H
InChIKeyXVCJHDKAPBFPKM-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.66
Rot. Bonds2

About N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide

N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide (PubChem CID 45261207) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide.

Molecular Properties

Compound NameN'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide
PubChem CID45261207
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC NameN'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C11H12N4.BrH/c1-8(12)14-10-4-2-9(3-5-10)11-6-7-13-15-11;/h2-7H,1H3,(H2,12,14)(H,13,15);1H
InChIKeyXVCJHDKAPBFPKM-UHFFFAOYSA-N
XLogP2.66
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide?
The IUPAC name of N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide (CID 45261207) is N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide.
What is the SMILES notation for N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide?
The canonical SMILES for N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide is Br.C/C(N)=N\c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide?
The InChIKey is XVCJHDKAPBFPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.BrH/c1-8(12)14-10-4-2-9(3-5-10)11-6-7-13-15-11;/h2-7H,1H3,(H2,12,14)(H,13,15);1H.
What are the key properties of N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide?
N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide has a molecular weight of 281.16 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1H-pyrazol-5-yl)phenyl]ethanimidamide;hydrobromide is sourced from PubChem (CID 45261207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).