N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide

C16H27N3O3 — CID 154862518

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide
SMILESCOC1CCCC(CC(=O)NCC(C)(O)c2cnn(C)c2)C1
InChIInChI=1S/C16H27N3O3/c1-16(21,13-9-18-19(2)10-13)11-17-15(20)8-12-5-4-6-14(7-12)22-3/h9-10,12,14,21H,4-8,11H2,1-3H3,(H,17,20)
InChIKeyGNZLILXOXHPTOW-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.34
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide (PubChem CID 154862518) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide
PubChem CID154862518
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide
SMILESCOC1CCCC(CC(=O)NCC(C)(O)c2cnn(C)c2)C1
InChIInChI=1S/C16H27N3O3/c1-16(21,13-9-18-19(2)10-13)11-17-15(20)8-12-5-4-6-14(7-12)22-3/h9-10,12,14,21H,4-8,11H2,1-3H3,(H,17,20)
InChIKeyGNZLILXOXHPTOW-UHFFFAOYSA-N
XLogP1.34
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 71972715
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482946
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide
CID 111458418
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458347
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
1-[(1-ethylpiperidin-3-yl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111459092
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 111459095

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide (CID 154862518) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide is COC1CCCC(CC(=O)NCC(C)(O)c2cnn(C)c2)C1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide?
The InChIKey is GNZLILXOXHPTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-16(21,13-9-18-19(2)10-13)11-17-15(20)8-12-5-4-6-14(7-12)22-3/h9-10,12,14,21H,4-8,11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 1.34, 6 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]-2-(3-methoxycyclohexyl)acetamide is sourced from PubChem (CID 154862518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).