N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide

C22H17BrN4O — CID 3486697

IUPACN'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrN4O/c1-14(15-8-10-19(23)11-9-15)24-27-22(28)21-13-20(25-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,24H,1H2,(H,25,26)(H,27,28)
InChIKeyDKYWBRCPTGXRAB-UHFFFAOYSA-N
MW433.31 g/mol
LogP4.90
Rot. Bonds5

About N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide

N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide (PubChem CID 3486697) has the molecular formula C22H17BrN4O and a molecular weight of 433.31 g/mol. Its IUPAC name is N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide
PubChem CID3486697
Molecular FormulaC22H17BrN4O
Molecular Weight433.31 g/mol
Exact Mass432.06
IUPAC NameN'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrN4O/c1-14(15-8-10-19(23)11-9-15)24-27-22(28)21-13-20(25-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,24H,1H2,(H,25,26)(H,27,28)
InChIKeyDKYWBRCPTGXRAB-UHFFFAOYSA-N
XLogP4.90
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide (CID 3486697) is N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide is C=C(NNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(Br)cc1.
What is the InChIKey of N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide?
The InChIKey is DKYWBRCPTGXRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O/c1-14(15-8-10-19(23)11-9-15)24-27-22(28)21-13-20(25-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,24H,1H2,(H,25,26)(H,27,28).
What are the key properties of N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide?
N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide has a molecular weight of 433.31 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 3486697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).