2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide

C19H21N3O — CID 166270067

IUPAC2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide
SMILESCc1ccc2c(C(=O)NCCCc3cn[nH]c3)c(C)ccc2c1
InChIInChI=1S/C19H21N3O/c1-13-5-8-17-16(10-13)7-6-14(2)18(17)19(23)20-9-3-4-15-11-21-22-12-15/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySJMPLGUWNXWCSK-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.54
Rot. Bonds5

About 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide

2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide (PubChem CID 166270067) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide
PubChem CID166270067
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide
SMILESCc1ccc2c(C(=O)NCCCc3cn[nH]c3)c(C)ccc2c1
InChIInChI=1S/C19H21N3O/c1-13-5-8-17-16(10-13)7-6-14(2)18(17)19(23)20-9-3-4-15-11-21-22-12-15/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySJMPLGUWNXWCSK-UHFFFAOYSA-N
XLogP3.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide
CID 51596536
N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide
CID 138023940
3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 118203200
2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide
CID 146086063
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245
3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 77093843
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131905145
2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
(Z)-3-cyclopropyl-2-fluoro-N-[3-(1H-pyrazol-4-yl)propyl]but-2-enamide
CID 138013209

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide (CID 166270067) is 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide is Cc1ccc2c(C(=O)NCCCc3cn[nH]c3)c(C)ccc2c1.
What is the InChIKey of 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide?
The InChIKey is SJMPLGUWNXWCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-5-8-17-16(10-13)7-6-14(2)18(17)19(23)20-9-3-4-15-11-21-22-12-15/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide?
2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 166270067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).