N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine

C21H20Cl3N3 — CID 45273662

IUPACN-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine
SMILESClc1ccc(-c2cc(CNC3CCCC3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H20Cl3N3/c22-15-7-5-14(6-8-15)21-12-18(13-25-17-3-1-2-4-17)26-27(21)20-10-9-16(23)11-19(20)24/h5-12,17,25H,1-4,13H2
InChIKeyGGVCYYQZZRTFSO-UHFFFAOYSA-N
MW420.77 g/mol
LogP6.53
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine

N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine (PubChem CID 45273662) has the molecular formula C21H20Cl3N3 and a molecular weight of 420.77 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine
PubChem CID45273662
Molecular FormulaC21H20Cl3N3
Molecular Weight420.77 g/mol
Exact Mass419.07
IUPAC NameN-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine
SMILESClc1ccc(-c2cc(CNC3CCCC3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H20Cl3N3/c22-15-7-5-14(6-8-15)21-12-18(13-25-17-3-1-2-4-17)26-27(21)20-10-9-16(23)11-19(20)24/h5-12,17,25H,1-4,13H2
InChIKeyGGVCYYQZZRTFSO-UHFFFAOYSA-N
XLogP6.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.77
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine (CID 45273662) is N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine is Clc1ccc(-c2cc(CNC3CCCC3)nn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine?
The InChIKey is GGVCYYQZZRTFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N3/c22-15-7-5-14(6-8-15)21-12-18(13-25-17-3-1-2-4-17)26-27(21)20-10-9-16(23)11-19(20)24/h5-12,17,25H,1-4,13H2.
What are the key properties of N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine has a molecular weight of 420.77 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45273662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).