4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline

C13H19N3 — CID 150592391

IUPAC4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2=CCNN2)cc1
InChIInChI=1S/C13H19N3/c1-3-16(4-2)12-7-5-11(6-8-12)13-9-10-14-15-13/h5-9,14-15H,3-4,10H2,1-2H3
InChIKeyIQDKIMBWCXDYJN-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.98
Rot. Bonds4

About 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline

4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline (PubChem CID 150592391) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline
PubChem CID150592391
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2=CCNN2)cc1
InChIInChI=1S/C13H19N3/c1-3-16(4-2)12-7-5-11(6-8-12)13-9-10-14-15-13/h5-9,14-15H,3-4,10H2,1-2H3
InChIKeyIQDKIMBWCXDYJN-UHFFFAOYSA-N
XLogP1.98
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline?
The IUPAC name of 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline (CID 150592391) is 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline.
What is the SMILES notation for 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline?
The canonical SMILES for 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline is CCN(CC)c1ccc(C2=CCNN2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline?
The InChIKey is IQDKIMBWCXDYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-16(4-2)12-7-5-11(6-8-12)13-9-10-14-15-13/h5-9,14-15H,3-4,10H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline?
4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline has a molecular weight of 217.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-pyrazol-5-yl)-N,N-diethylaniline is sourced from PubChem (CID 150592391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).