2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol

C15H18FN3O — CID 154976031

IUPAC2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol
SMILESCCc1cc(NC(c2cc(F)ccc2O)C2CC2)n[nH]1
InChIInChI=1S/C15H18FN3O/c1-2-11-8-14(19-18-11)17-15(9-3-4-9)12-7-10(16)5-6-13(12)20/h5-9,15,20H,2-4H2,1H3,(H2,17,18,19)
InChIKeyOSMFPVGLFRDKQN-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.38
Rot. Bonds5

About 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol

2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol (PubChem CID 154976031) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol
PubChem CID154976031
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol
SMILESCCc1cc(NC(c2cc(F)ccc2O)C2CC2)n[nH]1
InChIInChI=1S/C15H18FN3O/c1-2-11-8-14(19-18-11)17-15(9-3-4-9)12-7-10(16)5-6-13(12)20/h5-9,15,20H,2-4H2,1H3,(H2,17,18,19)
InChIKeyOSMFPVGLFRDKQN-UHFFFAOYSA-N
XLogP3.38
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol?
The IUPAC name of 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol (CID 154976031) is 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol is CCc1cc(NC(c2cc(F)ccc2O)C2CC2)n[nH]1.
What is the InChIKey of 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol?
The InChIKey is OSMFPVGLFRDKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-11-8-14(19-18-11)17-15(9-3-4-9)12-7-10(16)5-6-13(12)20/h5-9,15,20H,2-4H2,1H3,(H2,17,18,19).
What are the key properties of 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol?
2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol has a molecular weight of 275.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol is sourced from PubChem (CID 154976031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).