N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide

C14H17N3O3 — CID 111477462

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCOc1cccc(C(O)CNC(=O)Cc2ccn[nH]2)c1
InChIInChI=1S/C14H17N3O3/c1-20-12-4-2-3-10(7-12)13(18)9-15-14(19)8-11-5-6-16-17-11/h2-7,13,18H,8-9H2,1H3,(H,15,19)(H,16,17)
InChIKeyLFNITQKNPPNZQV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.81
Rot. Bonds6

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 111477462) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID111477462
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCOc1cccc(C(O)CNC(=O)Cc2ccn[nH]2)c1
InChIInChI=1S/C14H17N3O3/c1-20-12-4-2-3-10(7-12)13(18)9-15-14(19)8-11-5-6-16-17-11/h2-7,13,18H,8-9H2,1H3,(H,15,19)(H,16,17)
InChIKeyLFNITQKNPPNZQV-UHFFFAOYSA-N
XLogP0.81
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111423579
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111115502
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide (CID 111477462) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide is COc1cccc(C(O)CNC(=O)Cc2ccn[nH]2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is LFNITQKNPPNZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-12-4-2-3-10(7-12)13(18)9-15-14(19)8-11-5-6-16-17-11/h2-7,13,18H,8-9H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 111477462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).