N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine

C12H21N3 — CID 123158636

IUPACN,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine
SMILESC=c1cnn(CCN(CC)CC)c1=CC
InChIInChI=1S/C12H21N3/c1-5-12-11(4)10-13-15(12)9-8-14(6-2)7-3/h5,10H,4,6-9H2,1-3H3
InChIKeyNDLSZXCFXLHOCB-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.44
Rot. Bonds5

About N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine

N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine (PubChem CID 123158636) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine
PubChem CID123158636
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine
SMILESC=c1cnn(CCN(CC)CC)c1=CC
InChIInChI=1S/C12H21N3/c1-5-12-11(4)10-13-15(12)9-8-14(6-2)7-3/h5,10H,4,6-9H2,1-3H3
InChIKeyNDLSZXCFXLHOCB-UHFFFAOYSA-N
XLogP0.44
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
CID 146550395
(5E)-1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylidene-5-propylidenepyrazole
CID 156204732
ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659830
2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
CID 89382698
1-Ethyl-5-methylidene-4-propan-2-ylidenepyrazole
CID 123352560
N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine
CID 123469461
N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine
CID 123740244
(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
CID 129157344
(4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole
CID 129238614
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342605
(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342636

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine (CID 123158636) is N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine is C=c1cnn(CCN(CC)CC)c1=CC.
What is the InChIKey of N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine?
The InChIKey is NDLSZXCFXLHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-12-11(4)10-13-15(12)9-8-14(6-2)7-3/h5,10H,4,6-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine?
N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine is sourced from PubChem (CID 123158636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).