3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide

C18H23N3O2 — CID 136521990

IUPAC3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide
SMILESCC(NC(=O)C1(C)CCCOC1)c1ccccc1-n1cccn1
InChIInChI=1S/C18H23N3O2/c1-14(20-17(22)18(2)9-5-12-23-13-18)15-7-3-4-8-16(15)21-11-6-10-19-21/h3-4,6-8,10-11,14H,5,9,12-13H2,1-2H3,(H,20,22)
InChIKeyCPRAQSDYTQLIIK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.87
Rot. Bonds4

About 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide

3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide (PubChem CID 136521990) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide
PubChem CID136521990
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide
SMILESCC(NC(=O)C1(C)CCCOC1)c1ccccc1-n1cccn1
InChIInChI=1S/C18H23N3O2/c1-14(20-17(22)18(2)9-5-12-23-13-18)15-7-3-4-8-16(15)21-11-6-10-19-21/h3-4,6-8,10-11,14H,5,9,12-13H2,1-2H3,(H,20,22)
InChIKeyCPRAQSDYTQLIIK-UHFFFAOYSA-N
XLogP2.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322482
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
cis-(1S,3R)-2,2-dimethyl-3-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065752
3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 46993873
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 91785737
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119781688

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide?
The IUPAC name of 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide (CID 136521990) is 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide is CC(NC(=O)C1(C)CCCOC1)c1ccccc1-n1cccn1.
What is the InChIKey of 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide?
The InChIKey is CPRAQSDYTQLIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(20-17(22)18(2)9-5-12-23-13-18)15-7-3-4-8-16(15)21-11-6-10-19-21/h3-4,6-8,10-11,14H,5,9,12-13H2,1-2H3,(H,20,22).
What are the key properties of 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide?
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide is sourced from PubChem (CID 136521990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).