2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol

C15H18FN3O — CID 154976030

IUPAC2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
SMILESCCn1nccc1NC(c1cc(F)ccc1O)C1CC1
InChIInChI=1S/C15H18FN3O/c1-2-19-14(7-8-17-19)18-15(10-3-4-10)12-9-11(16)5-6-13(12)20/h5-10,15,18,20H,2-4H2,1H3
InChIKeyGTIRHLWOLFTLRE-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.31
Rot. Bonds5

About 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol

2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol (PubChem CID 154976030) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
PubChem CID154976030
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
SMILESCCn1nccc1NC(c1cc(F)ccc1O)C1CC1
InChIInChI=1S/C15H18FN3O/c1-2-19-14(7-8-17-19)18-15(10-3-4-10)12-9-11(16)5-6-13(12)20/h5-10,15,18,20H,2-4H2,1H3
InChIKeyGTIRHLWOLFTLRE-UHFFFAOYSA-N
XLogP3.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4,4-difluoro-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-4-fluorophenol
CID 67471082
N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 91254318
4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol
CID 142800960
2-[(Z)-3-[4-methyl-5-(methylideneamino)pyrazol-1-yl]-3-[[4-(trifluoromethyl)phenyl]methylamino]prop-2-enyl]phenol
CID 145499512
4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol
CID 150135129
4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol
CID 151102945
4-Fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol
CID 151697193
2-[Cyclobutyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976023
2-[cyclobutyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976024
2-[[(2-Ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976025
2-[1-[(2-Ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol
CID 154976027
2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol
CID 154976028

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol?
The IUPAC name of 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol (CID 154976030) is 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol is CCn1nccc1NC(c1cc(F)ccc1O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol?
The InChIKey is GTIRHLWOLFTLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-19-14(7-8-17-19)18-15(10-3-4-10)12-9-11(16)5-6-13(12)20/h5-10,15,18,20H,2-4H2,1H3.
What are the key properties of 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol?
2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol has a molecular weight of 275.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol is sourced from PubChem (CID 154976030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).