2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine

C9H14F3N3O — CID 103366847

IUPAC2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine
SMILESCCn1cc(OCC(CN)C(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3O/c1-2-15-5-8(4-14-15)16-6-7(3-13)9(10,11)12/h4-5,7H,2-3,6,13H2,1H3
InChIKeyNLMSWGATQDXAKH-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.42
Rot. Bonds5

About 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine

2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366847) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366847
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine
SMILESCCn1cc(OCC(CN)C(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3O/c1-2-15-5-8(4-14-15)16-6-7(3-13)9(10,11)12/h4-5,7H,2-3,6,13H2,1H3
InChIKeyNLMSWGATQDXAKH-UHFFFAOYSA-N
XLogP1.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine (CID 103366847) is 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine is CCn1cc(OCC(CN)C(F)(F)F)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is NLMSWGATQDXAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-2-15-5-8(4-14-15)16-6-7(3-13)9(10,11)12/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine?
2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 237.22 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).