5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine

C12H12BrN3 — CID 117445640

IUPAC5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(Br)cc3c2CCC3)[nH]n1
InChIInChI=1S/C12H12BrN3/c13-8-4-7-2-1-3-9(7)10(5-8)11-6-12(14)16-15-11/h4-6H,1-3H2,(H3,14,15,16)
InChIKeyGHRXBBFJUZRFRP-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.91
Rot. Bonds1

About 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine

5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine (PubChem CID 117445640) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine
PubChem CID117445640
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(Br)cc3c2CCC3)[nH]n1
InChIInChI=1S/C12H12BrN3/c13-8-4-7-2-1-3-9(7)10(5-8)11-6-12(14)16-15-11/h4-6H,1-3H2,(H3,14,15,16)
InChIKeyGHRXBBFJUZRFRP-UHFFFAOYSA-N
XLogP2.91
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine
CID 117414124
5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine
CID 117334288
6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene
CID 69160150
5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine
CID 43805552
5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117494937
5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117449534
5-(4-bromothiophen-3-yl)-1H-pyrazol-3-amine
CID 165499489
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 136963394
5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)-1H-pyrazol-3-amine
CID 117329151
5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
CID 82478306
2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 170565054
5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 117437317

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine (CID 117445640) is 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc(Br)cc3c2CCC3)[nH]n1.
What is the InChIKey of 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine?
The InChIKey is GHRXBBFJUZRFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-8-4-7-2-1-3-9(7)10(5-8)11-6-12(14)16-15-11/h4-6H,1-3H2,(H3,14,15,16).
What are the key properties of 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine?
5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine has a molecular weight of 278.15 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117445640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).