3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine

C14H25F2N3O4 — CID 155680637

IUPAC3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine
SMILESCCOCCOCCOCCOCCn1cc(N)c(C(F)F)n1
InChIInChI=1S/C14H25F2N3O4/c1-2-20-5-6-22-9-10-23-8-7-21-4-3-19-11-12(17)13(18-19)14(15)16/h11,14H,2-10,17H2,1H3
InChIKeyGCQALGAGAVOITB-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.49
Rot. Bonds14

About 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine

3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine (PubChem CID 155680637) has the molecular formula C14H25F2N3O4 and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine
PubChem CID155680637
Molecular FormulaC14H25F2N3O4
Molecular Weight337.37 g/mol
Exact Mass337.18
IUPAC Name3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine
SMILESCCOCCOCCOCCOCCn1cc(N)c(C(F)F)n1
InChIInChI=1S/C14H25F2N3O4/c1-2-20-5-6-22-9-10-23-8-7-21-4-3-19-11-12(17)13(18-19)14(15)16/h11,14H,2-10,17H2,1H3
InChIKeyGCQALGAGAVOITB-UHFFFAOYSA-N
XLogP1.49
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 19619547
1-(2-methoxyethyl)-3-methyl-1H-pyrazol-4-amine
CID 69281507
5-methyl-1-(oxolan-3-yl)-1H-pyrazol-4-amine
CID 69281515
N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide
CID 56873173
1-(2,2-Difluoroethyl)-3-methyl-1H-pyrazol-4-amine
CID 19622844
1-(3-Fluorooxan-4-yl)-3-methylpyrazol-4-amine
CID 90010341
1-[4-Amino-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 90105558
1-[3-Fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288785
1-[3,3-Difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288860
1-[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 118365555
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 118365625
1-[3-Fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine
CID 118365686

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine (CID 155680637) is 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine is CCOCCOCCOCCOCCn1cc(N)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine?
The InChIKey is GCQALGAGAVOITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O4/c1-2-20-5-6-22-9-10-23-8-7-21-4-3-19-11-12(17)13(18-19)14(15)16/h11,14H,2-10,17H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine?
3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine has a molecular weight of 337.37 g/mol, XLogP of 1.49, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine is sourced from PubChem (CID 155680637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).