1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine

C20H27Cl2N5 — CID 59442849

IUPAC1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
SMILESClc1ccc(-c2cc(N3CCC(NCCN4CCCC4)CC3)n[nH]2)cc1Cl
InChIInChI=1S/C20H27Cl2N5/c21-17-4-3-15(13-18(17)22)19-14-20(25-24-19)27-10-5-16(6-11-27)23-7-12-26-8-1-2-9-26/h3-4,13-14,16,23H,1-2,5-12H2,(H,24,25)
InChIKeyISMPZXWCXYGBLP-UHFFFAOYSA-N
MW408.38 g/mol
LogP4.04
Rot. Bonds6

About 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine

1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine (PubChem CID 59442849) has the molecular formula C20H27Cl2N5 and a molecular weight of 408.38 g/mol. Its IUPAC name is 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
PubChem CID59442849
Molecular FormulaC20H27Cl2N5
Molecular Weight408.38 g/mol
Exact Mass407.16
IUPAC Name1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
SMILESClc1ccc(-c2cc(N3CCC(NCCN4CCCC4)CC3)n[nH]2)cc1Cl
InChIInChI=1S/C20H27Cl2N5/c21-17-4-3-15(13-18(17)22)19-14-20(25-24-19)27-10-5-16(6-11-27)23-7-12-26-8-1-2-9-26/h3-4,13-14,16,23H,1-2,5-12H2,(H,24,25)
InChIKeyISMPZXWCXYGBLP-UHFFFAOYSA-N
XLogP4.04
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine?
The IUPAC name of 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine (CID 59442849) is 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine is Clc1ccc(-c2cc(N3CCC(NCCN4CCCC4)CC3)n[nH]2)cc1Cl.
What is the InChIKey of 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine?
The InChIKey is ISMPZXWCXYGBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N5/c21-17-4-3-15(13-18(17)22)19-14-20(25-24-19)27-10-5-16(6-11-27)23-7-12-26-8-1-2-9-26/h3-4,13-14,16,23H,1-2,5-12H2,(H,24,25).
What are the key properties of 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine?
1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine has a molecular weight of 408.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine is sourced from PubChem (CID 59442849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).