8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide

C18H19BrN4O — CID 167841166

IUPAC8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)c2cccc3cccc(Br)c23)n1
InChIInChI=1S/C18H19BrN4O/c1-22(2)11-12-23-10-9-16(21-23)20-18(24)14-7-3-5-13-6-4-8-15(19)17(13)14/h3-10H,11-12H2,1-2H3,(H,20,21,24)
InChIKeyFCTMKVDSAXCGKY-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.61
Rot. Bonds5

About 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide

8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide (PubChem CID 167841166) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide
PubChem CID167841166
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)c2cccc3cccc(Br)c23)n1
InChIInChI=1S/C18H19BrN4O/c1-22(2)11-12-23-10-9-16(21-23)20-18(24)14-7-3-5-13-6-4-8-15(19)17(13)14/h3-10H,11-12H2,1-2H3,(H,20,21,24)
InChIKeyFCTMKVDSAXCGKY-UHFFFAOYSA-N
XLogP3.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167831048
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 166183392
N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167781776
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
CID 75494374
2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283683
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide (CID 167841166) is 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide is CN(C)CCn1ccc(NC(=O)c2cccc3cccc(Br)c23)n1.
What is the InChIKey of 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is FCTMKVDSAXCGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-22(2)11-12-23-10-9-16(21-23)20-18(24)14-7-3-5-13-6-4-8-15(19)17(13)14/h3-10H,11-12H2,1-2H3,(H,20,21,24).
What are the key properties of 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide?
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167841166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).