1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine

C18H26N4 — CID 165418576

IUPAC1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2ccnn2C2CCCC2)cc1
InChIInChI=1S/C18H26N4/c1-3-21(4-2)16-11-9-15(10-12-16)20-18-13-14-19-22(18)17-7-5-6-8-17/h9-14,17,20H,3-8H2,1-2H3
InChIKeyMKQJFUVKCLBANN-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.59
Rot. Bonds6

About 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 165418576) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID165418576
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2ccnn2C2CCCC2)cc1
InChIInChI=1S/C18H26N4/c1-3-21(4-2)16-11-9-15(10-12-16)20-18-13-14-19-22(18)17-7-5-6-8-17/h9-14,17,20H,3-8H2,1-2H3
InChIKeyMKQJFUVKCLBANN-UHFFFAOYSA-N
XLogP4.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 165418576) is 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(Nc2ccnn2C2CCCC2)cc1.
What is the InChIKey of 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is MKQJFUVKCLBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-21(4-2)16-11-9-15(10-12-16)20-18-13-14-19-22(18)17-7-5-6-8-17/h9-14,17,20H,3-8H2,1-2H3.
What are the key properties of 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyclopentylpyrazol-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 165418576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).