6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide

C17H18BrN3O2 — CID 146105895

IUPAC6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C(Nc1cc2n(n1)CCC2)C1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H18BrN3O2/c18-13-4-3-12-10-17(23,6-5-11(12)8-13)16(22)19-15-9-14-2-1-7-21(14)20-15/h3-4,8-9,23H,1-2,5-7,10H2,(H,19,20,22)
InChIKeyHBXDSLIAOMKFSC-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.45
Rot. Bonds2

About 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide

6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 146105895) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID146105895
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C(Nc1cc2n(n1)CCC2)C1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H18BrN3O2/c18-13-4-3-12-10-17(23,6-5-11(12)8-13)16(22)19-15-9-14-2-1-7-21(14)20-15/h3-4,8-9,23H,1-2,5-7,10H2,(H,19,20,22)
InChIKeyHBXDSLIAOMKFSC-UHFFFAOYSA-N
XLogP2.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide with MolForge

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Related Compounds

1-[(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 167910049
6-bromo-2-hydroxy-N-[(3-methoxy-4-pyridinyl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 136555154
methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630814
N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 154805508
methyl 6-bromo-2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63631176
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 57352291
6-bromo-2-(propan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 63630625
N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014497
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 82652358
2-(7-bromo-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetic acid
CID 63633057
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632235
6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 55249627

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 146105895) is 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide is O=C(Nc1cc2n(n1)CCC2)C1(O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is HBXDSLIAOMKFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c18-13-4-3-12-10-17(23,6-5-11(12)8-13)16(22)19-15-9-14-2-1-7-21(14)20-15/h3-4,8-9,23H,1-2,5-7,10H2,(H,19,20,22).
What are the key properties of 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide?
6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 376.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 146105895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).