1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine

C11H17F2N3 — CID 104583945

IUPAC1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine
SMILESC=CCCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C11H17F2N3/c1-3-4-5-9(2)14-11-6-7-16(15-11)8-10(12)13/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,14,15)
InChIKeyUJIUEKPXXCEKHZ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.91
Rot. Bonds7

About 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine

1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine (PubChem CID 104583945) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine
PubChem CID104583945
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine
SMILESC=CCCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C11H17F2N3/c1-3-4-5-9(2)14-11-6-7-16(15-11)8-10(12)13/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,14,15)
InChIKeyUJIUEKPXXCEKHZ-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.91
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

N-ethyl-1-methyl-1H-pyrazol-3-amine
CID 60809330
N-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 63090550
1-(Pentan-2-yl)-1H-pyrazol-5-amine
CID 20115629
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
CID 75483546
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797578
1-[1-(4-Cyanobutan-2-yl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20451294
5-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanimidamide
CID 21279840
N'-cyano-4-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]butanimidamide
CID 21279849
3-[2-(2,2,2-Trifluoroethyl)guanidino]-1-(3-aminopropyl)pyrazole
CID 21298766
1-[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine
CID 66588278
1-(5,5-Difluoro-hexyl)-1H-pyrazol-3-ylamine
CID 66928304

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine (CID 104583945) is 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine is C=CCCC(C)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine?
The InChIKey is UJIUEKPXXCEKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-3-4-5-9(2)14-11-6-7-16(15-11)8-10(12)13/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,14,15).
What are the key properties of 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine?
1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine has a molecular weight of 229.27 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine is sourced from PubChem (CID 104583945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).