2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

C13H21N3O3 — CID 91105540

IUPAC2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCOCc1ccn(C2CCN(C(=O)C(C)O)CC2)n1
InChIInChI=1S/C13H21N3O3/c1-10(17)13(18)15-6-4-12(5-7-15)16-8-3-11(14-16)9-19-2/h3,8,10,12,17H,4-7,9H2,1-2H3
InChIKeyNECCUWNYASYFQK-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.57
Rot. Bonds4

About 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 91105540) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID91105540
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCOCc1ccn(C2CCN(C(=O)C(C)O)CC2)n1
InChIInChI=1S/C13H21N3O3/c1-10(17)13(18)15-6-4-12(5-7-15)16-8-3-11(14-16)9-19-2/h3,8,10,12,17H,4-7,9H2,1-2H3
InChIKeyNECCUWNYASYFQK-UHFFFAOYSA-N
XLogP0.57
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
CID 107109068
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one
CID 107109138
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 107109733
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (CID 91105540) is 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is COCc1ccn(C2CCN(C(=O)C(C)O)CC2)n1.
What is the InChIKey of 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is NECCUWNYASYFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(17)13(18)15-6-4-12(5-7-15)16-8-3-11(14-16)9-19-2/h3,8,10,12,17H,4-7,9H2,1-2H3.
What are the key properties of 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 267.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91105540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).