5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole

C11H7BrF2N4 — CID 168728035

IUPAC5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole
SMILESFC(F)n1cc(-c2n[nH]c3ccc(Br)cc23)cn1
InChIInChI=1S/C11H7BrF2N4/c12-7-1-2-9-8(3-7)10(17-16-9)6-4-15-18(5-6)11(13)14/h1-5,11H,(H,16,17)
InChIKeyHROVKGFNZALPPH-UHFFFAOYSA-N
MW313.11 g/mol
LogP3.58
Rot. Bonds2

About 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole

5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole (PubChem CID 168728035) has the molecular formula C11H7BrF2N4 and a molecular weight of 313.11 g/mol. Its IUPAC name is 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole
PubChem CID168728035
Molecular FormulaC11H7BrF2N4
Molecular Weight313.11 g/mol
Exact Mass311.98
IUPAC Name5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole
SMILESFC(F)n1cc(-c2n[nH]c3ccc(Br)cc23)cn1
InChIInChI=1S/C11H7BrF2N4/c12-7-1-2-9-8(3-7)10(17-16-9)6-4-15-18(5-6)11(13)14/h1-5,11H,(H,16,17)
InChIKeyHROVKGFNZALPPH-UHFFFAOYSA-N
XLogP3.58
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 163456910
N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 155134203
4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine
CID 170898403
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
CID 121385898
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane
CID 178061150
3-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 171392227
1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865238
3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 140816111
4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine
CID 171659610
6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol
CID 167766852
5-bromo-1H-indazole-3-carboxylate
CID 7157357
(12R)-12-methyl-13-oxa-4,5,9,18,19-pentazatetracyclo[12.5.2.12,5.017,20]docosa-1(19),2(22),3,14(21),15,17(20)-hexaen-8-one
CID 170648529

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole?
The IUPAC name of 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole (CID 168728035) is 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole?
The canonical SMILES for 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole is FC(F)n1cc(-c2n[nH]c3ccc(Br)cc23)cn1.
What is the InChIKey of 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole?
The InChIKey is HROVKGFNZALPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N4/c12-7-1-2-9-8(3-7)10(17-16-9)6-4-15-18(5-6)11(13)14/h1-5,11H,(H,16,17).
What are the key properties of 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole?
5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole has a molecular weight of 313.11 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole is sourced from PubChem (CID 168728035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).