N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide

C15H17N3O3 — CID 126826752

IUPACN-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NC1(CO)COc2ccccc2C1
InChIInChI=1S/C15H17N3O3/c19-10-15(17-14(20)9-18-7-3-6-16-18)8-12-4-1-2-5-13(12)21-11-15/h1-7,19H,8-11H2,(H,17,20)
InChIKeyDAQRZCKIDHTGJW-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.37
Rot. Bonds4

About N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide

N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide (PubChem CID 126826752) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide
PubChem CID126826752
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NC1(CO)COc2ccccc2C1
InChIInChI=1S/C15H17N3O3/c19-10-15(17-14(20)9-18-7-3-6-16-18)8-12-4-1-2-5-13(12)21-11-15/h1-7,19H,8-11H2,(H,17,20)
InChIKeyDAQRZCKIDHTGJW-UHFFFAOYSA-N
XLogP0.37
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 126826747
N-[1-(aminomethyl)cyclopentyl]-2-pyrazol-1-ylacetamide;dihydrochloride
CID 119567226
N-(2-phenylphenyl)-2-pyrazol-1-ylacetamide
CID 39723144
N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide
CID 115877790
3-[2-(1-methylimidazol-2-yl)ethyl]-2,4-dihydrochromene-3-carboxylic acid
CID 114532606
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
N-[2-phenyl-1-(3-phenyl-2-pyridinyl)ethyl]-2-pyrazol-1-ylacetamide
CID 162471132
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-pyrazol-1-ylacetamide
CID 136557619
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 47126948
N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 126435475
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80554575

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide (CID 126826752) is N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NC1(CO)COc2ccccc2C1.
What is the InChIKey of N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is DAQRZCKIDHTGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-15(17-14(20)9-18-7-3-6-16-18)8-12-4-1-2-5-13(12)21-11-15/h1-7,19H,8-11H2,(H,17,20).
What are the key properties of N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide?
N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2,4-dihydrochromen-3-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 126826752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).