2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine

C6H9F2N3 — CID 84731494

IUPAC2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine
SMILESNCCn1cc(C(F)F)cn1
InChIInChI=1S/C6H9F2N3/c7-6(8)5-3-10-11(4-5)2-1-9/h3-4,6H,1-2,9H2
InChIKeyGBSQWHGJELRQCE-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.78
Rot. Bonds3

About 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine

2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine (PubChem CID 84731494) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine
PubChem CID84731494
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine
SMILESNCCn1cc(C(F)F)cn1
InChIInChI=1S/C6H9F2N3/c7-6(8)5-3-10-11(4-5)2-1-9/h3-4,6H,1-2,9H2
InChIKeyGBSQWHGJELRQCE-UHFFFAOYSA-N
XLogP0.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine (CID 84731494) is 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine is NCCn1cc(C(F)F)cn1.
What is the InChIKey of 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine?
The InChIKey is GBSQWHGJELRQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c7-6(8)5-3-10-11(4-5)2-1-9/h3-4,6H,1-2,9H2.
What are the key properties of 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine?
2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine has a molecular weight of 161.16 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 84731494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).