N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine

C18H19ClN4 — CID 59446654

IUPACN'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine
SMILESNCCNC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H19ClN4/c19-17-7-5-15(6-8-17)18(21-10-9-20)14-3-1-13(2-4-14)16-11-22-23-12-16/h1-8,11-12,18,21H,9-10,20H2,(H,22,23)
InChIKeyWYQNADNUGPFGRG-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.37
Rot. Bonds6

About N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine

N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 59446654) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine
PubChem CID59446654
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC NameN'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine
SMILESNCCNC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H19ClN4/c19-17-7-5-15(6-8-17)18(21-10-9-20)14-3-1-13(2-4-14)16-11-22-23-12-16/h1-8,11-12,18,21H,9-10,20H2,(H,22,23)
InChIKeyWYQNADNUGPFGRG-UHFFFAOYSA-N
XLogP3.37
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine (CID 59446654) is N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine is NCCNC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is WYQNADNUGPFGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-17-7-5-15(6-8-17)18(21-10-9-20)14-3-1-13(2-4-14)16-11-22-23-12-16/h1-8,11-12,18,21H,9-10,20H2,(H,22,23).
What are the key properties of N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine?
N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 326.83 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 59446654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).