(5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone

C10H8FN3O — CID 14674001

IUPAC(5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14)
InChIKeySLDRSGCIYSROJJ-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.36
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone

(5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone (PubChem CID 14674001) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone
PubChem CID14674001
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14)
InChIKeySLDRSGCIYSROJJ-UHFFFAOYSA-N
XLogP1.36
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone (CID 14674001) is (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone is Nc1[nH]ncc1C(=O)c1ccc(F)cc1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone?
The InChIKey is SLDRSGCIYSROJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone has a molecular weight of 205.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 14674001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).