N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide

C18H19N3O2 — CID 122246734

IUPACN-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCOCCn1cccn1)c1cccc2ccccc12
InChIInChI=1S/C18H19N3O2/c22-18(17-8-3-6-15-5-1-2-7-16(15)17)19-10-13-23-14-12-21-11-4-9-20-21/h1-9,11H,10,12-14H2,(H,19,22)
InChIKeyPMZVRFOXXCIJIA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.48
Rot. Bonds7

About N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide

N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide (PubChem CID 122246734) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide
PubChem CID122246734
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCOCCn1cccn1)c1cccc2ccccc12
InChIInChI=1S/C18H19N3O2/c22-18(17-8-3-6-15-5-1-2-7-16(15)17)19-10-13-23-14-12-21-11-4-9-20-21/h1-9,11H,10,12-14H2,(H,19,22)
InChIKeyPMZVRFOXXCIJIA-UHFFFAOYSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246707
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide
CID 122246699
3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246704
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246724
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
CID 19589685
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
CID 20608821
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide (CID 122246734) is N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide is O=C(NCCOCCn1cccn1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide?
The InChIKey is PMZVRFOXXCIJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18(17-8-3-6-15-5-1-2-7-16(15)17)19-10-13-23-14-12-21-11-4-9-20-21/h1-9,11H,10,12-14H2,(H,19,22).
What are the key properties of N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide?
N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 122246734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).