4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol

C14H18FN3O — CID 141365171

IUPAC4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1cc(-c2ccc(F)c(N)c2)n[nH]1
InChIInChI=1S/C14H18FN3O/c1-14(2,19)6-5-10-8-13(18-17-10)9-3-4-11(15)12(16)7-9/h3-4,7-8,19H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyABGWNGWFSMDXBP-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.50
Rot. Bonds4

About 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol

4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol (PubChem CID 141365171) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol
PubChem CID141365171
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1cc(-c2ccc(F)c(N)c2)n[nH]1
InChIInChI=1S/C14H18FN3O/c1-14(2,19)6-5-10-8-13(18-17-10)9-3-4-11(15)12(16)7-9/h3-4,7-8,19H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyABGWNGWFSMDXBP-UHFFFAOYSA-N
XLogP2.50
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol (CID 141365171) is 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol is CC(C)(O)CCc1cc(-c2ccc(F)c(N)c2)n[nH]1.
What is the InChIKey of 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol?
The InChIKey is ABGWNGWFSMDXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-14(2,19)6-5-10-8-13(18-17-10)9-3-4-11(15)12(16)7-9/h3-4,7-8,19H,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol?
4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol has a molecular weight of 263.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 141365171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).