[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone

C19H18FN3O4 — CID 11530816

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(C(O)(CO)CO)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O4/c20-14-4-6-15(7-5-14)23-18(21)16(9-22-23)17(26)12-2-1-3-13(8-12)19(27,10-24)11-25/h1-9,24-25,27H,10-11,21H2
InChIKeyKQHTUTITZRQSRT-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.00
Rot. Bonds6

About [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone (PubChem CID 11530816) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone
PubChem CID11530816
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(C(O)(CO)CO)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O4/c20-14-4-6-15(7-5-14)23-18(21)16(9-22-23)17(26)12-2-1-3-13(8-12)19(27,10-24)11-25/h1-9,24-25,27H,10-11,21H2
InChIKeyKQHTUTITZRQSRT-UHFFFAOYSA-N
XLogP1.00
TPSA121.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone (CID 11530816) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone is Nc1c(C(=O)c2cccc(C(O)(CO)CO)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone?
The InChIKey is KQHTUTITZRQSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c20-14-4-6-15(7-5-14)23-18(21)16(9-22-23)17(26)12-2-1-3-13(8-12)19(27,10-24)11-25/h1-9,24-25,27H,10-11,21H2.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone has a molecular weight of 371.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(1,2,3-trihydroxypropan-2-yl)phenyl]methanone is sourced from PubChem (CID 11530816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).