8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide

C18H19BrN4O — CID 167831048

IUPAC8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2cccc3cccc(Br)c23)cn1
InChIInChI=1S/C18H19BrN4O/c1-22(2)9-10-23-12-14(11-20-23)21-18(24)15-7-3-5-13-6-4-8-16(19)17(13)15/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyGNUVKYYULSMMQX-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.61
Rot. Bonds5

About 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide

8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide (PubChem CID 167831048) 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-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
PubChem CID167831048
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2cccc3cccc(Br)c23)cn1
InChIInChI=1S/C18H19BrN4O/c1-22(2)9-10-23-12-14(11-20-23)21-18(24)15-7-3-5-13-6-4-8-16(19)17(13)15/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyGNUVKYYULSMMQX-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

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Related Compounds

8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167841166
6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167754395
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide
CID 167773289
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-indazol-1-ylpropanamide
CID 95744349
5-[(2-bromophenoxy)methyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]furan-2-carboxamide
CID 95744203
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide?
The IUPAC name of 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide (CID 167831048) is 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide is CN(C)CCn1cc(NC(=O)c2cccc3cccc(Br)c23)cn1.
What is the InChIKey of 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide?
The InChIKey is GNUVKYYULSMMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-22(2)9-10-23-12-14(11-20-23)21-18(24)15-7-3-5-13-6-4-8-16(19)17(13)15/h3-8,11-12H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide?
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-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-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167831048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).