2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol

C16H12FN5O — CID 139391755

IUPAC2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1F
InChIInChI=1S/C16H12FN5O/c17-12-6-9(1-4-15(12)23)14-7-16(22-21-14)19-11-2-3-13-10(5-11)8-18-20-13/h1-8,23H,(H,18,20)(H2,19,21,22)
InChIKeyHJPABNQVBRJZGO-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.54
Rot. Bonds3

About 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol

2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol (PubChem CID 139391755) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol
PubChem CID139391755
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1F
InChIInChI=1S/C16H12FN5O/c17-12-6-9(1-4-15(12)23)14-7-16(22-21-14)19-11-2-3-13-10(5-11)8-18-20-13/h1-8,23H,(H,18,20)(H2,19,21,22)
InChIKeyHJPABNQVBRJZGO-UHFFFAOYSA-N
XLogP3.54
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol (CID 139391755) is 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol is Oc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1F.
What is the InChIKey of 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol?
The InChIKey is HJPABNQVBRJZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-12-6-9(1-4-15(12)23)14-7-16(22-21-14)19-11-2-3-13-10(5-11)8-18-20-13/h1-8,23H,(H,18,20)(H2,19,21,22).
What are the key properties of 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol?
2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol has a molecular weight of 309.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 139391755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).