2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide

C14H23N3O3 — CID 110125512

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)Cn2nc(C)cc2C)[C@H]1O
InChIInChI=1S/C14H23N3O3/c1-9-7-10(2)17(16-9)8-13(18)15-11-5-4-6-12(20-3)14(11)19/h7,11-12,14,19H,4-6,8H2,1-3H3,(H,15,18)/t11-,12-,14-/m1/s1
InChIKeyDMHXIWHENAJAKQ-YRGRVCCFSA-N
MW281.36 g/mol
LogP0.54
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide (PubChem CID 110125512) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
PubChem CID110125512
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)Cn2nc(C)cc2C)[C@H]1O
InChIInChI=1S/C14H23N3O3/c1-9-7-10(2)17(16-9)8-13(18)15-11-5-4-6-12(20-3)14(11)19/h7,11-12,14,19H,4-6,8H2,1-3H3,(H,15,18)/t11-,12-,14-/m1/s1
InChIKeyDMHXIWHENAJAKQ-YRGRVCCFSA-N
XLogP0.54
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide with MolForge

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Related Compounds

(1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide
CID 122569856
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 155990175
2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119449670
2-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 45148400
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
CID 110125585
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66213461
2-(3,5-dimethylpyrazol-1-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986083
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
3-cyclohexyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 7780052

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide (CID 110125512) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide is CO[C@@H]1CCC[C@@H](NC(=O)Cn2nc(C)cc2C)[C@H]1O.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
The InChIKey is DMHXIWHENAJAKQ-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9-7-10(2)17(16-9)8-13(18)15-11-5-4-6-12(20-3)14(11)19/h7,11-12,14,19H,4-6,8H2,1-3H3,(H,15,18)/t11-,12-,14-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide is sourced from PubChem (CID 110125512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).