5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole

C12H10BrClN4 — CID 150972694

IUPAC5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
SMILESCn1ccc(Cn2cc3c(Cl)c(Br)ccc3n2)n1
InChIInChI=1S/C12H10BrClN4/c1-17-5-4-8(15-17)6-18-7-9-11(16-18)3-2-10(13)12(9)14/h2-5,7H,6H2,1H3
InChIKeyLOLGCKXSEVMJPN-UHFFFAOYSA-N
MW325.60 g/mol
LogP3.23
Rot. Bonds2

About 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole

5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole (PubChem CID 150972694) has the molecular formula C12H10BrClN4 and a molecular weight of 325.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
PubChem CID150972694
Molecular FormulaC12H10BrClN4
Molecular Weight325.60 g/mol
Exact Mass323.98
IUPAC Name5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
SMILESCn1ccc(Cn2cc3c(Cl)c(Br)ccc3n2)n1
InChIInChI=1S/C12H10BrClN4/c1-17-5-4-8(15-17)6-18-7-9-11(16-18)3-2-10(13)12(9)14/h2-5,7H,6H2,1H3
InChIKeyLOLGCKXSEVMJPN-UHFFFAOYSA-N
XLogP3.23
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.60
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole?
The IUPAC name of 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole (CID 150972694) is 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole.
What is the SMILES notation for 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole?
The canonical SMILES for 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole is Cn1ccc(Cn2cc3c(Cl)c(Br)ccc3n2)n1.
What is the InChIKey of 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole?
The InChIKey is LOLGCKXSEVMJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4/c1-17-5-4-8(15-17)6-18-7-9-11(16-18)3-2-10(13)12(9)14/h2-5,7H,6H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole?
5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole has a molecular weight of 325.60 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole is sourced from PubChem (CID 150972694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).