(4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol

C8H12BrN3O — CID 83912918

IUPAC(4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
SMILESCn1nc(Br)c2c1CCC2(N)CO
InChIInChI=1S/C8H12BrN3O/c1-12-5-2-3-8(10,4-13)6(5)7(9)11-12/h13H,2-4,10H2,1H3
InChIKeyLHYDWNYRDUSIND-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.28
Rot. Bonds1

About (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol

(4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol (PubChem CID 83912918) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
PubChem CID83912918
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name(4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
SMILESCn1nc(Br)c2c1CCC2(N)CO
InChIInChI=1S/C8H12BrN3O/c1-12-5-2-3-8(10,4-13)6(5)7(9)11-12/h13H,2-4,10H2,1H3
InChIKeyLHYDWNYRDUSIND-UHFFFAOYSA-N
XLogP0.28
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
CID 83905574
(4-Amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol
CID 83905575
(4-Amino-3-cyclopropyl-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
CID 83909025
(4-Amino-3-cyclopropyl-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
CID 83909026
(4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)methanol
CID 83911691
(4-Amino-3-bromo-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
CID 83912917
4-Amino-3-bromo-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83913317
4-Amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83913318
(4-Amino-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
CID 112714745
(4-Amino-1,5-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol
CID 112714746
(4-Amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol
CID 112714747
(4-Amino-2,3-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
CID 112714748

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol?
The IUPAC name of (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol (CID 83912918) is (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol.
What is the SMILES notation for (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol?
The canonical SMILES for (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol is Cn1nc(Br)c2c1CCC2(N)CO.
What is the InChIKey of (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol?
The InChIKey is LHYDWNYRDUSIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-12-5-2-3-8(10,4-13)6(5)7(9)11-12/h13H,2-4,10H2,1H3.
What are the key properties of (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol?
(4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol has a molecular weight of 246.11 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol is sourced from PubChem (CID 83912918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).