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

C16H13N5O — CID 139391880

IUPAC4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1
InChIInChI=1S/C16H13N5O/c22-13-4-1-10(2-5-13)15-8-16(21-20-15)18-12-3-6-14-11(7-12)9-17-19-14/h1-9,22H,(H,17,19)(H2,18,20,21)
InChIKeyDRHMBWYRNLIICS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.40
Rot. Bonds3

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

4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol (PubChem CID 139391880) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol
PubChem CID139391880
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1
InChIInChI=1S/C16H13N5O/c22-13-4-1-10(2-5-13)15-8-16(21-20-15)18-12-3-6-14-11(7-12)9-17-19-14/h1-9,22H,(H,17,19)(H2,18,20,21)
InChIKeyDRHMBWYRNLIICS-UHFFFAOYSA-N
XLogP3.40
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol (CID 139391880) is 4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol is Oc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)n[nH]2)cc1.
What is the InChIKey of 4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol?
The InChIKey is DRHMBWYRNLIICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c22-13-4-1-10(2-5-13)15-8-16(21-20-15)18-12-3-6-14-11(7-12)9-17-19-14/h1-9,22H,(H,17,19)(H2,18,20,21).
What are the key properties of 4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol?
4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol has a molecular weight of 291.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indazol-5-ylamino)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 139391880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).