N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine

C15H19N3 — CID 105108672

IUPACN-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
SMILESC=CCC(NCC)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-3-8-14(16-4-2)15-11-12-18(17-15)13-9-6-5-7-10-13/h3,5-7,9-12,14,16H,1,4,8H2,2H3
InChIKeyJZQSJXGVNDSSOJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.10
Rot. Bonds6

About N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine

N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine (PubChem CID 105108672) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
PubChem CID105108672
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
SMILESC=CCC(NCC)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-3-8-14(16-4-2)15-11-12-18(17-15)13-9-6-5-7-10-13/h3,5-7,9-12,14,16H,1,4,8H2,2H3
InChIKeyJZQSJXGVNDSSOJ-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 105181624
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CID 105170634
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CID 105124562
N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine
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N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 106657298
4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105190345
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine
CID 103126360
N-ethyl-1-(2-phenyltriazol-4-yl)hex-5-en-1-amine
CID 105153106
N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine (CID 105108672) is N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine is C=CCC(NCC)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine?
The InChIKey is JZQSJXGVNDSSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-8-14(16-4-2)15-11-12-18(17-15)13-9-6-5-7-10-13/h3,5-7,9-12,14,16H,1,4,8H2,2H3.
What are the key properties of N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine?
N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine has a molecular weight of 241.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine is sourced from PubChem (CID 105108672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).