1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine

C20H19BrN4 — CID 70585853

IUPAC1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1ccccc1.Nc1ccc2ccccc2c1Br
InChIInChI=1S/C10H8BrN.C10H11N3/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h1-6H,12H2;2-6H,1H3,(H3,11,12,13)
InChIKeyUTWVLSZTLNDCAT-UHFFFAOYSA-N
MW395.30 g/mol
LogP5.15
Rot. Bonds1

About 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine

1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine (PubChem CID 70585853) has the molecular formula C20H19BrN4 and a molecular weight of 395.30 g/mol. Its IUPAC name is 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine
PubChem CID70585853
Molecular FormulaC20H19BrN4
Molecular Weight395.30 g/mol
Exact Mass394.08
IUPAC Name1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1ccccc1.Nc1ccc2ccccc2c1Br
InChIInChI=1S/C10H8BrN.C10H11N3/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h1-6H,12H2;2-6H,1H3,(H3,11,12,13)
InChIKeyUTWVLSZTLNDCAT-UHFFFAOYSA-N
XLogP5.15
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine (CID 70585853) is 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1-c1ccccc1.Nc1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine?
The InChIKey is UTWVLSZTLNDCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN.C10H11N3/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h1-6H,12H2;2-6H,1H3,(H3,11,12,13).
What are the key properties of 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine?
1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine has a molecular weight of 395.30 g/mol, XLogP of 5.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromonaphthalen-2-amine;5-methyl-4-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 70585853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).