(2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

C16H29N3 — CID 112671587

IUPAC(2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1nn(C)cc1/C=C(/CNCC(C)C)C(C)C
InChIInChI=1S/C16H29N3/c1-7-16-15(11-19(6)18-16)8-14(13(4)5)10-17-9-12(2)3/h8,11-13,17H,7,9-10H2,1-6H3/b14-8-
InChIKeyUPDHORLWMXWMCB-ZSOIEALJSA-N
MW263.43 g/mol
LogP3.27
Rot. Bonds7

About (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

(2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 112671587) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name(2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID112671587
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name(2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1nn(C)cc1/C=C(/CNCC(C)C)C(C)C
InChIInChI=1S/C16H29N3/c1-7-16-15(11-19(6)18-16)8-14(13(4)5)10-17-9-12(2)3/h8,11-13,17H,7,9-10H2,1-6H3/b14-8-
InChIKeyUPDHORLWMXWMCB-ZSOIEALJSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 112549530
3-ethyl-1-methyl-4-[(Z)-2-nitroprop-1-enyl]pyrazole
CID 112670813
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339124
(E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 112671592
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethylpentan-1-amine
CID 114200176
N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 115990267
2-[(4-bromothiophen-2-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339297
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
4-[2-(bromomethyl)-3-methylbut-1-enyl]-1,3-dimethylpyrazole
CID 83094363
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
(2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
CID 81311351

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 112671587) is (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is CCc1nn(C)cc1/C=C(/CNCC(C)C)C(C)C.
What is the InChIKey of (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is UPDHORLWMXWMCB-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-16-15(11-19(6)18-16)8-14(13(4)5)10-17-9-12(2)3/h8,11-13,17H,7,9-10H2,1-6H3/b14-8-.
What are the key properties of (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
(2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 112671587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).