1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine

C38H47ClF3N9O2Si — CID 159238002

IUPAC1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine
SMILESCC(=O)c1cc(N)n(-c2ccc(F)cc2)n1.CC(C)(C)[Si](C)(C)Cl.CCc1cc(N)n(-c2ccc(F)cc2)n1.Nc1cc(CO)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O.C11H12FN3.C10H10FN3O.C6H15ClSi/c1-7(16)10-6-11(13)15(14-10)9-4-2-8(12)3-5-9;1-2-9-7-11(13)15(14-9)10-5-3-8(12)4-6-10;11-7-1-3-9(4-2-7)14-10(12)5-8(6-15)13-14;1-6(2,3)8(4,5)7/h2-6H,13H2,1H3;3-7H,2,13H2,1H3;1-5,15H,6,12H2;1-5H3
InChIKeyKTSMMGHGWOTNPQ-UHFFFAOYSA-N
MW782.39 g/mol
LogP8.27
Rot. Bonds6

About 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine

1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine (PubChem CID 159238002) has the molecular formula C38H47ClF3N9O2Si and a molecular weight of 782.39 g/mol. Its IUPAC name is 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine
PubChem CID159238002
Molecular FormulaC38H47ClF3N9O2Si
Molecular Weight782.39 g/mol
Exact Mass781.33
IUPAC Name1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine
SMILESCC(=O)c1cc(N)n(-c2ccc(F)cc2)n1.CC(C)(C)[Si](C)(C)Cl.CCc1cc(N)n(-c2ccc(F)cc2)n1.Nc1cc(CO)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O.C11H12FN3.C10H10FN3O.C6H15ClSi/c1-7(16)10-6-11(13)15(14-10)9-4-2-8(12)3-5-9;1-2-9-7-11(13)15(14-9)10-5-3-8(12)4-6-10;11-7-1-3-9(4-2-7)14-10(12)5-8(6-15)13-14;1-6(2,3)8(4,5)7/h2-6H,13H2,1H3;3-7H,2,13H2,1H3;1-5,15H,6,12H2;1-5H3
InChIKeyKTSMMGHGWOTNPQ-UHFFFAOYSA-N
XLogP8.27
TPSA168.82 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.39
LogP ≤ 58.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

5-Anilino-1-phenylpyrazole-3-carbaldehyde;(5-anilino-1-phenylpyrazol-3-yl)methanol
CID 87444140

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine (CID 159238002) is 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine is CC(=O)c1cc(N)n(-c2ccc(F)cc2)n1.CC(C)(C)[Si](C)(C)Cl.CCc1cc(N)n(-c2ccc(F)cc2)n1.Nc1cc(CO)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine?
The InChIKey is KTSMMGHGWOTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O.C11H12FN3.C10H10FN3O.C6H15ClSi/c1-7(16)10-6-11(13)15(14-10)9-4-2-8(12)3-5-9;1-2-9-7-11(13)15(14-9)10-5-3-8(12)4-6-10;11-7-1-3-9(4-2-7)14-10(12)5-8(6-15)13-14;1-6(2,3)8(4,5)7/h2-6H,13H2,1H3;3-7H,2,13H2,1H3;1-5,15H,6,12H2;1-5H3.
What are the key properties of 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine?
1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine has a molecular weight of 782.39 g/mol, XLogP of 8.27, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]ethanone;[5-amino-1-(4-fluorophenyl)pyrazol-3-yl]methanol;tert-butyl-chloro-dimethylsilane;3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 159238002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).