(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine

C17H29N3 — CID 103571039

IUPAC(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCCn1cc(/C=C(/CNC(C)C)C2CCCCC2)cn1
InChIInChI=1S/C17H29N3/c1-4-20-13-15(11-19-20)10-17(12-18-14(2)3)16-8-6-5-7-9-16/h10-11,13-14,16,18H,4-9,12H2,1-3H3/b17-10-
InChIKeyHFRSFLOAYOFTPV-YVLHZVERSA-N
MW275.44 g/mol
LogP3.86
Rot. Bonds6

About (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine

(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103571039) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103571039
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCCn1cc(/C=C(/CNC(C)C)C2CCCCC2)cn1
InChIInChI=1S/C17H29N3/c1-4-20-13-15(11-19-20)10-17(12-18-14(2)3)16-8-6-5-7-9-16/h10-11,13-14,16,18H,4-9,12H2,1-3H3/b17-10-
InChIKeyHFRSFLOAYOFTPV-YVLHZVERSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 103571031
2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 103571010
N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 103571015
(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
CID 103573592
N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
CID 81025706
(Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 98220062
2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
CID 103571007
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
CID 103570991
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
CID 103571005

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine (CID 103571039) is (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine is CCn1cc(/C=C(/CNC(C)C)C2CCCCC2)cn1.
What is the InChIKey of (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is HFRSFLOAYOFTPV-YVLHZVERSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-20-13-15(11-19-20)10-17(12-18-14(2)3)16-8-6-5-7-9-16/h10-11,13-14,16,18H,4-9,12H2,1-3H3/b17-10-.
What are the key properties of (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine?
(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103571039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).