1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine

C9H11F2N5 — CID 115735746

IUPAC1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2ncc[nH]2)n1
InChIInChI=1S/C9H11F2N5/c10-7(11)6-16-4-1-8(15-16)14-5-9-12-2-3-13-9/h1-4,7H,5-6H2,(H,12,13)(H,14,15)
InChIKeyOOVFOSDAMVZRTE-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.48
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine

1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine (PubChem CID 115735746) has the molecular formula C9H11F2N5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine
PubChem CID115735746
Molecular FormulaC9H11F2N5
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2ncc[nH]2)n1
InChIInChI=1S/C9H11F2N5/c10-7(11)6-16-4-1-8(15-16)14-5-9-12-2-3-13-9/h1-4,7H,5-6H2,(H,12,13)(H,14,15)
InChIKeyOOVFOSDAMVZRTE-UHFFFAOYSA-N
XLogP1.48
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine (CID 115735746) is 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine is FC(F)Cn1ccc(NCc2ncc[nH]2)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine?
The InChIKey is OOVFOSDAMVZRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5/c10-7(11)6-16-4-1-8(15-16)14-5-9-12-2-3-13-9/h1-4,7H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine has a molecular weight of 227.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 115735746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).