N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine

C17H17ClN4 — CID 117210869

IUPACN'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cnn(-c2ccccc2Cl)c1-c1ccccc1
InChIInChI=1S/C17H17ClN4/c18-14-8-4-5-9-16(14)22-17(13-6-2-1-3-7-13)15(12-21-22)20-11-10-19/h1-9,12,20H,10-11,19H2
InChIKeyGEKFJQMECZVMBT-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.56
Rot. Bonds5

About N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine

N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117210869) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
PubChem CID117210869
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC NameN'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cnn(-c2ccccc2Cl)c1-c1ccccc1
InChIInChI=1S/C17H17ClN4/c18-14-8-4-5-9-16(14)22-17(13-6-2-1-3-7-13)15(12-21-22)20-11-10-19/h1-9,12,20H,10-11,19H2
InChIKeyGEKFJQMECZVMBT-UHFFFAOYSA-N
XLogP3.56
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine (CID 117210869) is N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine is NCCNc1cnn(-c2ccccc2Cl)c1-c1ccccc1.
What is the InChIKey of N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is GEKFJQMECZVMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-14-8-4-5-9-16(14)22-17(13-6-2-1-3-7-13)15(12-21-22)20-11-10-19/h1-9,12,20H,10-11,19H2.
What are the key properties of N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 312.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).