(E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine

C19H25N5 — CID 161284172

IUPAC(E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine
SMILESC=Cc1[nH]ncc1/C=C/NC(C1=CCCCCC1)c1cn[nH]c1C
InChIInChI=1S/C19H25N5/c1-3-18-16(12-21-24-18)10-11-20-19(17-13-22-23-14(17)2)15-8-6-4-5-7-9-15/h3,8,10-13,19-20H,1,4-7,9H2,2H3,(H,21,24)(H,22,23)/b11-10+
InChIKeyKAFMTFARLLOHKI-ZHACJKMWSA-N
MW323.44 g/mol
LogP4.28
Rot. Bonds6

About (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine

(E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine (PubChem CID 161284172) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine.

Molecular Properties

Compound Name(E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine
PubChem CID161284172
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name(E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine
SMILESC=Cc1[nH]ncc1/C=C/NC(C1=CCCCCC1)c1cn[nH]c1C
InChIInChI=1S/C19H25N5/c1-3-18-16(12-21-24-18)10-11-20-19(17-13-22-23-14(17)2)15-8-6-4-5-7-9-15/h3,8,10-13,19-20H,1,4-7,9H2,2H3,(H,21,24)(H,22,23)/b11-10+
InChIKeyKAFMTFARLLOHKI-ZHACJKMWSA-N
XLogP4.28
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
CID 142810838
N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 115974600
[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol
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[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine
CID 106649357
cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
CID 106651327
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole
CID 167231357
1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 43209035
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
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CID 106657819

Frequently Asked Questions

What is the IUPAC name of (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine?
The IUPAC name of (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine (CID 161284172) is (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine.
What is the SMILES notation for (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine?
The canonical SMILES for (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine is C=Cc1[nH]ncc1/C=C/NC(C1=CCCCCC1)c1cn[nH]c1C.
What is the InChIKey of (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine?
The InChIKey is KAFMTFARLLOHKI-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-18-16(12-21-24-18)10-11-20-19(17-13-22-23-14(17)2)15-8-6-4-5-7-9-15/h3,8,10-13,19-20H,1,4-7,9H2,2H3,(H,21,24)(H,22,23)/b11-10+.
What are the key properties of (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine?
(E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine has a molecular weight of 323.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[cyclohepten-1-yl-(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-ethenyl-1H-pyrazol-4-yl)ethenamine is sourced from PubChem (CID 161284172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).