N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine

C18H20N4 — CID 117210495

IUPACN'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine
SMILESNCCCNc1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H20N4/c19-12-7-13-20-17-14-21-22(16-10-5-2-6-11-16)18(17)15-8-3-1-4-9-15/h1-6,8-11,14,20H,7,12-13,19H2
InChIKeyXJRCMHUPQHGLGH-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.30
Rot. Bonds6

About N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine

N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine (PubChem CID 117210495) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine
PubChem CID117210495
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine
SMILESNCCCNc1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H20N4/c19-12-7-13-20-17-14-21-22(16-10-5-2-6-11-16)18(17)15-8-3-1-4-9-15/h1-6,8-11,14,20H,7,12-13,19H2
InChIKeyXJRCMHUPQHGLGH-UHFFFAOYSA-N
XLogP3.30
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine (CID 117210495) is N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine is NCCCNc1cnn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine?
The InChIKey is XJRCMHUPQHGLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c19-12-7-13-20-17-14-21-22(16-10-5-2-6-11-16)18(17)15-8-3-1-4-9-15/h1-6,8-11,14,20H,7,12-13,19H2.
What are the key properties of N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine?
N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine has a molecular weight of 292.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine is sourced from PubChem (CID 117210495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).