1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine

C20H18Cl2N6 — CID 68667695

IUPAC1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine
SMILESNCC(N)(c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H18Cl2N6/c21-14-5-1-12(2-6-14)16-9-18(27-25-16)20(24,11-23)19-10-17(26-28-19)13-3-7-15(22)8-4-13/h1-10H,11,23-24H2,(H,25,27)(H,26,28)
InChIKeyZSWFAAFASDXSSZ-UHFFFAOYSA-N
MW413.31 g/mol
LogP3.93
Rot. Bonds5

About 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine

1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine (PubChem CID 68667695) has the molecular formula C20H18Cl2N6 and a molecular weight of 413.31 g/mol. Its IUPAC name is 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine
PubChem CID68667695
Molecular FormulaC20H18Cl2N6
Molecular Weight413.31 g/mol
Exact Mass412.10
IUPAC Name1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine
SMILESNCC(N)(c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H18Cl2N6/c21-14-5-1-12(2-6-14)16-9-18(27-25-16)20(24,11-23)19-10-17(26-28-19)13-3-7-15(22)8-4-13/h1-10H,11,23-24H2,(H,25,27)(H,26,28)
InChIKeyZSWFAAFASDXSSZ-UHFFFAOYSA-N
XLogP3.93
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-bis[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine;dihydrochloride
CID 68667830
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850813
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445739
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 119521772
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83849137
3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
CID 123618516
(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 12544472
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide
CID 142636925
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850457
2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986388
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445741
3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole
CID 67759328

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine?
The IUPAC name of 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine (CID 68667695) is 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine is NCC(N)(c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine?
The InChIKey is ZSWFAAFASDXSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N6/c21-14-5-1-12(2-6-14)16-9-18(27-25-16)20(24,11-23)19-10-17(26-28-19)13-3-7-15(22)8-4-13/h1-10H,11,23-24H2,(H,25,27)(H,26,28).
What are the key properties of 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine?
1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine has a molecular weight of 413.31 g/mol, XLogP of 3.93, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 68667695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).