2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine

C14H19Cl2N5 — CID 105193337

IUPAC2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(NN)c1ccc(Cl)cc1
InChIInChI=1S/C14H19Cl2N5/c1-20(2)7-8-21-14(12(16)9-18-21)13(19-17)10-3-5-11(15)6-4-10/h3-6,9,13,19H,7-8,17H2,1-2H3
InChIKeyIYWSHXFUBQLGHR-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.30
Rot. Bonds6

About 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105193337) has the molecular formula C14H19Cl2N5 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105193337
Molecular FormulaC14H19Cl2N5
Molecular Weight328.25 g/mol
Exact Mass327.10
IUPAC Name2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(NN)c1ccc(Cl)cc1
InChIInChI=1S/C14H19Cl2N5/c1-20(2)7-8-21-14(12(16)9-18-21)13(19-17)10-3-5-11(15)6-4-10/h3-6,9,13,19H,7-8,17H2,1-2H3
InChIKeyIYWSHXFUBQLGHR-UHFFFAOYSA-N
XLogP2.30
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.30
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

2-[4-chloro-5-[(2-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105211079
2-[4-chloro-5-[hydrazinyl-(2-methyl-4-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106756701
2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105261547
2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105248398
2-[4-chloro-5-[hydrazinyl(1H-1,2,4-triazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105230485
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
2-[4-chloro-5-[methylamino-(6-methyl-3-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105182397
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,4-difluorophenyl)methanol
CID 114634819
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197082
[(4-chloro-1-ethylpyrazol-5-yl)-(3-chloro-4-fluorophenyl)methyl]hydrazine
CID 105218119
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethanamine
CID 103517108
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105193337) is 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Cl)c1C(NN)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is IYWSHXFUBQLGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N5/c1-20(2)7-8-21-14(12(16)9-18-21)13(19-17)10-3-5-11(15)6-4-10/h3-6,9,13,19H,7-8,17H2,1-2H3.
What are the key properties of 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 328.25 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105193337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).