1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine

C7H10FN3O — CID 155595426

IUPAC1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(CC2(F)COC2)c1
InChIInChI=1S/C7H10FN3O/c8-7(4-12-5-7)3-11-2-6(9)1-10-11/h1-2H,3-5,9H2
InChIKeyTVJWNSGMJVDGQR-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.20
Rot. Bonds2

About 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine

1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine (PubChem CID 155595426) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine
PubChem CID155595426
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(CC2(F)COC2)c1
InChIInChI=1S/C7H10FN3O/c8-7(4-12-5-7)3-11-2-6(9)1-10-11/h1-2H,3-5,9H2
InChIKeyTVJWNSGMJVDGQR-UHFFFAOYSA-N
XLogP0.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine (CID 155595426) is 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine is Nc1cnn(CC2(F)COC2)c1.
What is the InChIKey of 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine?
The InChIKey is TVJWNSGMJVDGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c8-7(4-12-5-7)3-11-2-6(9)1-10-11/h1-2H,3-5,9H2.
What are the key properties of 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine?
1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine has a molecular weight of 171.18 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 155595426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).