N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C15H19Cl2N3 — CID 62730672

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H19Cl2N3/c1-15(2,3)18-7-11-8-19-20(9-11)10-12-13(16)5-4-6-14(12)17/h4-6,8-9,18H,7,10H2,1-3H3
InChIKeyLDUQEWHBFYQLLB-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.13
Rot. Bonds4

About N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62730672) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62730672
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H19Cl2N3/c1-15(2,3)18-7-11-8-19-20(9-11)10-12-13(16)5-4-6-14(12)17/h4-6,8-9,18H,7,10H2,1-3H3
InChIKeyLDUQEWHBFYQLLB-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 62730672) is N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnn(Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LDUQEWHBFYQLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-15(2,3)18-7-11-8-19-20(9-11)10-12-13(16)5-4-6-14(12)17/h4-6,8-9,18H,7,10H2,1-3H3.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 312.24 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62730672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).