4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine

C15H19Cl2N3 — CID 62979740

IUPAC4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C(C)c2ccc(Cl)cc2)c1CCl
InChIInChI=1S/C15H19Cl2N3/c1-10-14(9-16)15(20(4)18-10)19(3)11(2)12-5-7-13(17)8-6-12/h5-8,11H,9H2,1-4H3
InChIKeyQLBRQINHOHHZGR-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.32
Rot. Bonds4

About 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine

4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine (PubChem CID 62979740) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
PubChem CID62979740
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C(C)c2ccc(Cl)cc2)c1CCl
InChIInChI=1S/C15H19Cl2N3/c1-10-14(9-16)15(20(4)18-10)19(3)11(2)12-5-7-13(17)8-6-12/h5-8,11H,9H2,1-4H3
InChIKeyQLBRQINHOHHZGR-UHFFFAOYSA-N
XLogP4.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 107083062
4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 62979203
3-[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]butanenitrile
CID 63223522
5-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957668
4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63815150
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134003958
4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123402
4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine
CID 107079390
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633
4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine
CID 79483802
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
N-[(2-bromophenyl)methyl]-4-(chloromethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416100

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine (CID 62979740) is 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine is Cc1nn(C)c(N(C)C(C)c2ccc(Cl)cc2)c1CCl.
What is the InChIKey of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is QLBRQINHOHHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-10-14(9-16)15(20(4)18-10)19(3)11(2)12-5-7-13(17)8-6-12/h5-8,11H,9H2,1-4H3.
What are the key properties of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine?
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 312.24 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 62979740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).