[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine

C14H18BrClN4O — CID 105337224

IUPAC[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H18BrClN4O/c1-3-6-20-14(11(16)8-18-20)13(19-17)9-4-5-12(21-2)10(15)7-9/h4-5,7-8,13,19H,3,6,17H2,1-2H3
InChIKeyIOVNRNQPLOFXQT-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.27
Rot. Bonds6

About [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine

[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105337224) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
PubChem CID105337224
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC Name[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H18BrClN4O/c1-3-6-20-14(11(16)8-18-20)13(19-17)9-4-5-12(21-2)10(15)7-9/h4-5,7-8,13,19H,3,6,17H2,1-2H3
InChIKeyIOVNRNQPLOFXQT-UHFFFAOYSA-N
XLogP3.27
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105260924
[(3,4-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105257120
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192162
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
1-(3-bromo-4-methoxyphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041426
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105042594
[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337238
[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
CID 105337137
1-(3-bromo-4-methoxyphenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046686
N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042548
[(3-bromo-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105238587

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine (CID 105337224) is [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine is CCCn1ncc(Cl)c1C(NN)c1ccc(OC)c(Br)c1.
What is the InChIKey of [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is IOVNRNQPLOFXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN4O/c1-3-6-20-14(11(16)8-18-20)13(19-17)9-4-5-12(21-2)10(15)7-9/h4-5,7-8,13,19H,3,6,17H2,1-2H3.
What are the key properties of [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 373.68 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105337224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).