4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine

C15H24N4 — CID 174588174

IUPAC4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine
SMILESCCNC1=CCC(C=CN2CC=CN2)(NCC)C=C1
InChIInChI=1S/C15H24N4/c1-3-16-14-6-8-15(9-7-14,17-4-2)10-13-19-12-5-11-18-19/h5-8,10-11,13,16-18H,3-4,9,12H2,1-2H3
InChIKeyWPTCKNUHSSIYQA-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.64
Rot. Bonds6

About 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine

4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 174588174) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine
PubChem CID174588174
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine
SMILESCCNC1=CCC(C=CN2CC=CN2)(NCC)C=C1
InChIInChI=1S/C15H24N4/c1-3-16-14-6-8-15(9-7-14,17-4-2)10-13-19-12-5-11-18-19/h5-8,10-11,13,16-18H,3-4,9,12H2,1-2H3
InChIKeyWPTCKNUHSSIYQA-UHFFFAOYSA-N
XLogP1.64
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine (CID 174588174) is 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine is CCNC1=CCC(C=CN2CC=CN2)(NCC)C=C1.
What is the InChIKey of 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is WPTCKNUHSSIYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-16-14-6-8-15(9-7-14,17-4-2)10-13-19-12-5-11-18-19/h5-8,10-11,13,16-18H,3-4,9,12H2,1-2H3.
What are the key properties of 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine?
4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 174588174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).