1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine

C8H12F3N5O — CID 21279848

IUPAC1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\CC(F)(F)F)Nc1ccn(CCO)n1
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)5-13-7(12)14-6-1-2-16(15-6)3-4-17/h1-2,17H,3-5H2,(H3,12,13,14,15)
InChIKeyLWEALJANYJSLPB-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.16
Rot. Bonds4

About 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine

1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 21279848) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID21279848
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC Name1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\CC(F)(F)F)Nc1ccn(CCO)n1
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)5-13-7(12)14-6-1-2-16(15-6)3-4-17/h1-2,17H,3-5H2,(H3,12,13,14,15)
InChIKeyLWEALJANYJSLPB-UHFFFAOYSA-N
XLogP0.16
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-1H-pyrazol-1-yl)ethan-1-ol
CID 320281
2-(3-Amino-1H-pyrazol-1-yl)ethan-1-ol
CID 21279853
1-(3-amino-1H-pyrazol-1-yl)propan-2-ol
CID 55284669
1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazol-3-amine
CID 61490885
5-[3-(2-[2,2,2-Trifluoroethyl]guanidino)pyrazol-1-yl]valeronitrile
CID 13883780
1-(4-Hydroxybutyl)-3-[2-(2,2,2-trifluoroethyl)guanidino]pyrazole
CID 20451304
1-[4-Fluoro-1-(4-hydroxybutyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458245
1-[1-(3-Hydroxypropyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458262
methyl 5-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanimidate
CID 21279757
1-[1-(2-Hydroxyethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethylsulfanyl)urea
CID 21279763
N'-cyano-3-[2-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]ethoxy]propanimidamide
CID 21279785
5-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanimidamide
CID 21279840

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine (CID 21279848) is 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine is N/C(=N\CC(F)(F)F)Nc1ccn(CCO)n1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is LWEALJANYJSLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c9-8(10,11)5-13-7(12)14-6-1-2-16(15-6)3-4-17/h1-2,17H,3-5H2,(H3,12,13,14,15).
What are the key properties of 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine?
1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 251.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 21279848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).