2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide

C20H21N3O2 — CID 51093613

IUPAC2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCOc2ccccc2-c2ccccc2)n(C)n1
InChIInChI=1S/C20H21N3O2/c1-15-14-18(23(2)22-15)20(24)21-12-13-25-19-11-7-6-10-17(19)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyLWJGDTXAXHRORB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.20
Rot. Bonds6

About 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide (PubChem CID 51093613) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
PubChem CID51093613
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCOc2ccccc2-c2ccccc2)n(C)n1
InChIInChI=1S/C20H21N3O2/c1-15-14-18(23(2)22-15)20(24)21-12-13-25-19-11-7-6-10-17(19)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyLWJGDTXAXHRORB-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.20
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-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 2994239
N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
CID 52822289
N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114297735
(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
CID 94817504
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
CID 111337309
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 60591826
N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 61030494
N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 52876890
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 60527876
2-(cyclopropylmethylamino)-N-[2-(2-phenylphenoxy)ethyl]acetamide;hydrochloride
CID 119754368
2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
CID 110917179

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide (CID 51093613) is 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCCOc2ccccc2-c2ccccc2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide?
The InChIKey is LWJGDTXAXHRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-14-18(23(2)22-15)20(24)21-12-13-25-19-11-7-6-10-17(19)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 51093613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).