N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine

C13H13BrN4 — CID 164586611

IUPACN-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine
SMILES[H]/N=C/c1ccc(Br)cc1Nc1cnn(C2CC2)c1
InChIInChI=1S/C13H13BrN4/c14-10-2-1-9(6-15)13(5-10)17-11-7-16-18(8-11)12-3-4-12/h1-2,5-8,12,15,17H,3-4H2/b15-6+
InChIKeyKVNGHWXSRARXRG-GIDUJCDVSA-N
MW305.18 g/mol
LogP3.72
Rot. Bonds4

About N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine

N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine (PubChem CID 164586611) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine
PubChem CID164586611
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC NameN-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine
SMILES[H]/N=C/c1ccc(Br)cc1Nc1cnn(C2CC2)c1
InChIInChI=1S/C13H13BrN4/c14-10-2-1-9(6-15)13(5-10)17-11-7-16-18(8-11)12-3-4-12/h1-2,5-8,12,15,17H,3-4H2/b15-6+
InChIKeyKVNGHWXSRARXRG-GIDUJCDVSA-N
XLogP3.72
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine?
The IUPAC name of N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine (CID 164586611) is N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine.
What is the SMILES notation for N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine?
The canonical SMILES for N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine is [H]/N=C/c1ccc(Br)cc1Nc1cnn(C2CC2)c1.
What is the InChIKey of N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine?
The InChIKey is KVNGHWXSRARXRG-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H13BrN4/c14-10-2-1-9(6-15)13(5-10)17-11-7-16-18(8-11)12-3-4-12/h1-2,5-8,12,15,17H,3-4H2/b15-6+.
What are the key properties of N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine?
N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine has a molecular weight of 305.18 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine is sourced from PubChem (CID 164586611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).