6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide

C18H19ClN4O — CID 167754395

IUPAC6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2cccc3cc(Cl)ccc23)cn1
InChIInChI=1S/C18H19ClN4O/c1-22(2)8-9-23-12-15(11-20-23)21-18(24)17-5-3-4-13-10-14(19)6-7-16(13)17/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)
InChIKeyPGMQVKODVVWLKV-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.50
Rot. Bonds5

About 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide

6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide (PubChem CID 167754395) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
PubChem CID167754395
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2cccc3cc(Cl)ccc23)cn1
InChIInChI=1S/C18H19ClN4O/c1-22(2)8-9-23-12-15(11-20-23)21-18(24)17-5-3-4-13-10-14(19)6-7-16(13)17/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)
InChIKeyPGMQVKODVVWLKV-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167831048
N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167960825
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
CID 47076856
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
CID 95744392
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
CID 95744341
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-indazol-1-ylpropanamide
CID 95744349
3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide?
The IUPAC name of 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide (CID 167754395) is 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide is CN(C)CCn1cc(NC(=O)c2cccc3cc(Cl)ccc23)cn1.
What is the InChIKey of 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide?
The InChIKey is PGMQVKODVVWLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-22(2)8-9-23-12-15(11-20-23)21-18(24)17-5-3-4-13-10-14(19)6-7-16(13)17/h3-7,10-12H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide?
6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167754395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).