N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide

C18H25N3O3 — CID 111825776

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCC(C)(O)c2cnn(C)c2)cc1
InChIInChI=1S/C18H25N3O3/c1-13(14-5-7-16(24-4)8-6-14)9-17(22)19-12-18(2,23)15-10-20-21(3)11-15/h5-8,10-11,13,23H,9,12H2,1-4H3,(H,19,22)
InChIKeyLNZBQUNGBLSLHL-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.95
Rot. Bonds7

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide (PubChem CID 111825776) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide
PubChem CID111825776
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCC(C)(O)c2cnn(C)c2)cc1
InChIInChI=1S/C18H25N3O3/c1-13(14-5-7-16(24-4)8-6-14)9-17(22)19-12-18(2,23)15-10-20-21(3)11-15/h5-8,10-11,13,23H,9,12H2,1-4H3,(H,19,22)
InChIKeyLNZBQUNGBLSLHL-UHFFFAOYSA-N
XLogP1.95
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide
CID 111458533
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methoxyphenyl)propanamide
CID 111458568
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 111458326
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
3-[3-(4-methoxyphenyl)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701155
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
2-[4-[3-(4-methoxyphenyl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696934
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
CID 95776187
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide (CID 111825776) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide is COc1ccc(C(C)CC(=O)NCC(C)(O)c2cnn(C)c2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide?
The InChIKey is LNZBQUNGBLSLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(14-5-7-16(24-4)8-6-14)9-17(22)19-12-18(2,23)15-10-20-21(3)11-15/h5-8,10-11,13,23H,9,12H2,1-4H3,(H,19,22).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide has a molecular weight of 331.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 111825776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).