5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine

C15H19N5 — CID 126514980

IUPAC5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine
SMILESC=Cc1[nH]ncc1/C=C/NCc1cc(N)cc(N)c1C
InChIInChI=1S/C15H19N5/c1-3-15-11(9-19-20-15)4-5-18-8-12-6-13(16)7-14(17)10(12)2/h3-7,9,18H,1,8,16-17H2,2H3,(H,19,20)/b5-4+
InChIKeyFBCXGQKQQRLFMP-SNAWJCMRSA-N
MW269.35 g/mol
LogP2.29
Rot. Bonds5

About 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine

5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine (PubChem CID 126514980) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine
PubChem CID126514980
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine
SMILESC=Cc1[nH]ncc1/C=C/NCc1cc(N)cc(N)c1C
InChIInChI=1S/C15H19N5/c1-3-15-11(9-19-20-15)4-5-18-8-12-6-13(16)7-14(17)10(12)2/h3-7,9,18H,1,8,16-17H2,2H3,(H,19,20)/b5-4+
InChIKeyFBCXGQKQQRLFMP-SNAWJCMRSA-N
XLogP2.29
TPSA92.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
CID 142810838
(Z)-2-(4-ethenyl-1H-pyrazol-5-yl)ethenamine
CID 129204058
5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole
CID 167231357
(E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine
CID 161284172
4-methyl-5-(3-methylbut-2-enyl)benzene-1,3-diamine
CID 91006720
5-prop-1-enyl-1H-pyrazol-4-amine
CID 90117424
2-iodo-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 66093758
4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide
CID 166739034
5-methoxy-3-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,3-diamine
CID 80739081
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 80645661
5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine
CID 174193718

Frequently Asked Questions

What is the IUPAC name of 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine?
The IUPAC name of 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine (CID 126514980) is 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine?
The canonical SMILES for 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine is C=Cc1[nH]ncc1/C=C/NCc1cc(N)cc(N)c1C.
What is the InChIKey of 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine?
The InChIKey is FBCXGQKQQRLFMP-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-15-11(9-19-20-15)4-5-18-8-12-6-13(16)7-14(17)10(12)2/h3-7,9,18H,1,8,16-17H2,2H3,(H,19,20)/b5-4+.
What are the key properties of 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine?
5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(E)-2-(5-ethenyl-1H-pyrazol-4-yl)ethenyl]amino]methyl]-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 126514980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).