N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine

C17H17ClN4 — CID 117210691

IUPACN'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cnn(-c2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C17H17ClN4/c18-14-7-4-8-15(11-14)22-17(13-5-2-1-3-6-13)16(12-21-22)20-10-9-19/h1-8,11-12,20H,9-10,19H2
InChIKeyFOLWNZZLJXSAOX-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.56
Rot. Bonds5

About N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine

N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117210691) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
PubChem CID117210691
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC NameN'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cnn(-c2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C17H17ClN4/c18-14-7-4-8-15(11-14)22-17(13-5-2-1-3-6-13)16(12-21-22)20-10-9-19/h1-8,11-12,20H,9-10,19H2
InChIKeyFOLWNZZLJXSAOX-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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Related Compounds

N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
CID 117210689
N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine
CID 117210495
N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
CID 117210869
N'-[5-[(3-chlorophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210313
4-(aminomethyl)-1-(3-chlorophenyl)pyrazol-5-amine
CID 115069399
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
N'-[5-(3-chlorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224110
N'-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]propane-1,3-diamine
CID 117210731
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 117210212
1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-phenylpyrazole-4-carboxylic acid
CID 3767155

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine (CID 117210691) is N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine is NCCNc1cnn(-c2cccc(Cl)c2)c1-c1ccccc1.
What is the InChIKey of N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is FOLWNZZLJXSAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-14-7-4-8-15(11-14)22-17(13-5-2-1-3-6-13)16(12-21-22)20-10-9-19/h1-8,11-12,20H,9-10,19H2.
What are the key properties of N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
N'-[1-(3-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-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).