4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine

C13H14BrN3 — CID 117471765

IUPAC4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(Br)c3c(c2)CCC3)c1N
InChIInChI=1S/C13H14BrN3/c1-17-13(15)11(7-16-17)9-5-8-3-2-4-10(8)12(14)6-9/h5-7H,2-4,15H2,1H3
InChIKeyOHNPPVXNNVWFBP-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.92
Rot. Bonds1

About 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine

4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine (PubChem CID 117471765) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine
PubChem CID117471765
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(Br)c3c(c2)CCC3)c1N
InChIInChI=1S/C13H14BrN3/c1-17-13(15)11(7-16-17)9-5-8-3-2-4-10(8)12(14)6-9/h5-7H,2-4,15H2,1H3
InChIKeyOHNPPVXNNVWFBP-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-amine
CID 117471761
4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
CID 117453163
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117445259
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117471267
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763
2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117360393
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117397009
4-bromo-1-methylpyrazol-5-amine;hydrobromide
CID 122156616
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine (CID 117471765) is 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cc(Br)c3c(c2)CCC3)c1N.
What is the InChIKey of 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine?
The InChIKey is OHNPPVXNNVWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-17-13(15)11(7-16-17)9-5-8-3-2-4-10(8)12(14)6-9/h5-7H,2-4,15H2,1H3.
What are the key properties of 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine?
4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine has a molecular weight of 292.18 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117471765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).