2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

C21H18N4O2 — CID 110281072

IUPAC2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)Nc1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C21H18N4O2/c1-14(27-18-7-6-15-4-2-3-5-17(15)12-18)21(26)23-20-13-19(24-25-20)16-8-10-22-11-9-16/h2-14H,1H3,(H2,23,24,25,26)
InChIKeyQAKFBFNCQRROEW-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.03
Rot. Bonds5

About 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 110281072) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
PubChem CID110281072
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)Nc1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C21H18N4O2/c1-14(27-18-7-6-15-4-2-3-5-17(15)12-18)21(26)23-20-13-19(24-25-20)16-8-10-22-11-9-16/h2-14H,1H3,(H2,23,24,25,26)
InChIKeyQAKFBFNCQRROEW-UHFFFAOYSA-N
XLogP4.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-oxo-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate
CID 95309662
(2S)-N-(3-acetamidophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561585
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide
CID 53196011
(2S)-N-(2,6-difluorophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561465
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide
CID 95706030
2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 47935073
(2R)-2-naphthalen-2-yloxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100726517
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 52792045

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (CID 110281072) is 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is CC(Oc1ccc2ccccc2c1)C(=O)Nc1cc(-c2ccncc2)[nH]n1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is QAKFBFNCQRROEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(27-18-7-6-15-4-2-3-5-17(15)12-18)21(26)23-20-13-19(24-25-20)16-8-10-22-11-9-16/h2-14H,1H3,(H2,23,24,25,26).
What are the key properties of 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 358.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 110281072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).