(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide

C19H21N3O2 — CID 97148279

IUPAC(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide
SMILESCc1n[nH]c(C)c1CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1
InChIInChI=1S/C19H21N3O2/c1-12-18(13(2)22-21-12)11-20-19(23)14(3)24-17-9-8-15-6-4-5-7-16(15)10-17/h4-10,14H,11H2,1-3H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyLMGYPAZJSFMRAU-CQSZACIVSA-N
MW323.40 g/mol
LogP3.26
Rot. Bonds5

About (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide

(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide (PubChem CID 97148279) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide
PubChem CID97148279
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide
SMILESCc1n[nH]c(C)c1CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1
InChIInChI=1S/C19H21N3O2/c1-12-18(13(2)22-21-12)11-20-19(23)14(3)24-17-9-8-15-6-4-5-7-16(15)10-17/h4-10,14H,11H2,1-3H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyLMGYPAZJSFMRAU-CQSZACIVSA-N
XLogP3.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxypropanamide
CID 45147924
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 110443001
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 97136134
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide (CID 97148279) is (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide is Cc1n[nH]c(C)c1CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide?
The InChIKey is LMGYPAZJSFMRAU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-18(13(2)22-21-12)11-20-19(23)14(3)24-17-9-8-15-6-4-5-7-16(15)10-17/h4-10,14H,11H2,1-3H3,(H,20,23)(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide?
(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide has a molecular weight of 323.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 97148279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).