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

C18H15FN4O — CID 159407069

IUPAC2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol
SMILESCc1c(Cc2cc(-c3ccc(O)c(F)c3)n[nH]2)ccc2[nH]ncc12
InChIInChI=1S/C18H15FN4O/c1-10-11(2-4-16-14(10)9-20-22-16)6-13-8-17(23-21-13)12-3-5-18(24)15(19)7-12/h2-5,7-9,24H,6H2,1H3,(H,20,22)(H,21,23)
InChIKeyLOCCXROKBRRMOY-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.70
Rot. Bonds3

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

2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol (PubChem CID 159407069) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol
PubChem CID159407069
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol
SMILESCc1c(Cc2cc(-c3ccc(O)c(F)c3)n[nH]2)ccc2[nH]ncc12
InChIInChI=1S/C18H15FN4O/c1-10-11(2-4-16-14(10)9-20-22-16)6-13-8-17(23-21-13)12-3-5-18(24)15(19)7-12/h2-5,7-9,24H,6H2,1H3,(H,20,22)(H,21,23)
InChIKeyLOCCXROKBRRMOY-UHFFFAOYSA-N
XLogP3.70
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1H-indazol-5-ylimino)methyl]-4-methylphenol
CID 795025
3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol
CID 135567434
4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
CID 136901416
4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 155540488
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155549690
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
CID 164621474
4-(1H-indazol-6-yl)phenol
CID 136301774
2-fluoro-4-(1H-indazol-6-yl)phenol
CID 145956264
4-[5-(Trifluoromethyl)-1h-indazol-3-yl]phenol
CID 136406042
4-[3-(4-hydroxyphenyl)-1H-indazol-5-yl]phenol
CID 137646758
4-(1H-indazol-6-yl)-2-methylphenol
CID 145950269
3-fluoro-4-(1H-indazol-6-yl)phenol
CID 145957742

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol (CID 159407069) is 2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol is Cc1c(Cc2cc(-c3ccc(O)c(F)c3)n[nH]2)ccc2[nH]ncc12.
What is the InChIKey of 2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol?
The InChIKey is LOCCXROKBRRMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-10-11(2-4-16-14(10)9-20-22-16)6-13-8-17(23-21-13)12-3-5-18(24)15(19)7-12/h2-5,7-9,24H,6H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol?
2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol has a molecular weight of 322.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 159407069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).