3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

C15H10FN5 — CID 10149380

IUPAC3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C15H10FN5/c16-11-4-1-9(2-5-11)14-12-7-10(15-17-8-18-21-15)3-6-13(12)19-20-14/h1-8H,(H,19,20)(H,17,18,21)
InChIKeyABLPXBMVAAHVFU-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.15
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 10149380) has the molecular formula C15H10FN5 and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID10149380
Molecular FormulaC15H10FN5
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C15H10FN5/c16-11-4-1-9(2-5-11)14-12-7-10(15-17-8-18-21-15)3-6-13(12)19-20-14/h1-8H,(H,19,20)(H,17,18,21)
InChIKeyABLPXBMVAAHVFU-UHFFFAOYSA-N
XLogP3.15
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-Fluorophenyl)(1h-indazol-5-yl)]-5-(pyrrolidinylmethyl)-1h-1,2,4-triazole
CID 10021535
3-(4-aminophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905259
2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl)-N,N-dimethylethanamine
CID 25165279
3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine
CID 135222842
3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164609137
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164611880
3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164612602
N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide
CID 164614319
5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole
CID 164616157
3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164624119
US10155769, Example 4
CID 134450101
US10155769, Example 24
CID 134450122

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 10149380) is 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is Fc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is ABLPXBMVAAHVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5/c16-11-4-1-9(2-5-11)14-12-7-10(15-17-8-18-21-15)3-6-13(12)19-20-14/h1-8H,(H,19,20)(H,17,18,21).
What are the key properties of 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 279.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 10149380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).