4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C15H21ClN4 — CID 51104668

IUPAC4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN4/c1-11-14(15(19(2)3)20(4)18-11)10-17-9-12-6-5-7-13(16)8-12/h5-8,17H,9-10H2,1-4H3
InChIKeyHRECYMZIARZCCE-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.74
Rot. Bonds5

About 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 51104668) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID51104668
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN4/c1-11-14(15(19(2)3)20(4)18-11)10-17-9-12-6-5-7-13(16)8-12/h5-8,17H,9-10H2,1-4H3
InChIKeyHRECYMZIARZCCE-UHFFFAOYSA-N
XLogP2.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 51104668) is 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCc1cccc(Cl)c1.
What is the InChIKey of 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is HRECYMZIARZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11-14(15(19(2)3)20(4)18-11)10-17-9-12-6-5-7-13(16)8-12/h5-8,17H,9-10H2,1-4H3.
What are the key properties of 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 292.81 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 51104668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).