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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-propan-2-ylpyrazol-3-amine
CID 130683846
1-(2-cyclohexylpyrazol-3-yl)-3-(4-methylphenyl)thiourea
CID 24574445
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
N-(2-cyclopentylpyrazol-3-yl)-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110881459
2-[[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683009
N-(2-cyclopentylpyrazol-3-yl)-2-(4-ethoxyanilino)acetamide
CID 78815624
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 72877003
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
N-[(2-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626139
4-N,4-N-diethyl-1-N-(4-pyrrolidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112883943
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945

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).