1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol

C9H16FN3O — CID 175873155

IUPAC1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)n1cc(F)c(CCN)n1
InChIInChI=1S/C9H16FN3O/c1-6(2)9(14)13-5-7(10)8(12-13)3-4-11/h5-6,9,14H,3-4,11H2,1-2H3
InChIKeyJOKADFIETPMAMX-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.67
Rot. Bonds4

About 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol

1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 175873155) has the molecular formula C9H16FN3O and a molecular weight of 201.24 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID175873155
Molecular FormulaC9H16FN3O
Molecular Weight201.24 g/mol
Exact Mass201.13
IUPAC Name1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)n1cc(F)c(CCN)n1
InChIInChI=1S/C9H16FN3O/c1-6(2)9(14)13-5-7(10)8(12-13)3-4-11/h5-6,9,14H,3-4,11H2,1-2H3
InChIKeyJOKADFIETPMAMX-UHFFFAOYSA-N
XLogP0.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol (CID 175873155) is 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol is CC(C)C(O)n1cc(F)c(CCN)n1.
What is the InChIKey of 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is JOKADFIETPMAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3O/c1-6(2)9(14)13-5-7(10)8(12-13)3-4-11/h5-6,9,14H,3-4,11H2,1-2H3.
What are the key properties of 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol?
1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 201.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 175873155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).