5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol

C13H15FN4O — CID 135492348

IUPAC5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol
SMILESOc1cc(F)ccc1-c1[nH]ncc1N1CCNCC1
InChIInChI=1S/C13H15FN4O/c14-9-1-2-10(12(19)7-9)13-11(8-16-17-13)18-5-3-15-4-6-18/h1-2,7-8,15,19H,3-6H2,(H,16,17)
InChIKeyBIKCTVLQHSXJEW-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.33
Rot. Bonds2

About 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol

5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol (PubChem CID 135492348) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol
PubChem CID135492348
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol
SMILESOc1cc(F)ccc1-c1[nH]ncc1N1CCNCC1
InChIInChI=1S/C13H15FN4O/c14-9-1-2-10(12(19)7-9)13-11(8-16-17-13)18-5-3-15-4-6-18/h1-2,7-8,15,19H,3-6H2,(H,16,17)
InChIKeyBIKCTVLQHSXJEW-UHFFFAOYSA-N
XLogP1.33
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 819511
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1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601323
4-phenethyl-6-(4-(piperazin-1-yl)-1H-pyrazol-3-yl)benzene-1,3-diol
CID 136094845
5-(4-Piperazin-1-yl-1H-pyrazol-3-yl)-biphenyl-2,4-diol
CID 136094847
US10308614, Example 52
CID 137029572
2-[(1H-indazol-7-ylamino)methyl]phenol
CID 5304089
5-Fluoro-2-(1H-pyrazol-5-yl)phenol
CID 137035518

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol (CID 135492348) is 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol is Oc1cc(F)ccc1-c1[nH]ncc1N1CCNCC1.
What is the InChIKey of 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol?
The InChIKey is BIKCTVLQHSXJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-9-1-2-10(12(19)7-9)13-11(8-16-17-13)18-5-3-15-4-6-18/h1-2,7-8,15,19H,3-6H2,(H,16,17).
What are the key properties of 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol?
5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol has a molecular weight of 262.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-piperazin-1-yl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 135492348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).