3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide

C16H27N3O3 — CID 110125695

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2cn(C)nc2C)[C@H]1O
InChIInChI=1S/C16H27N3O3/c1-11-12(10-18(2)17-11)8-9-15(20)19(3)13-6-5-7-14(22-4)16(13)21/h10,13-14,16,21H,5-9H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyKGMRYEYKOPQWFC-IIAWOOMASA-N
MW309.41 g/mol
LogP1.05
Rot. Bonds5

About 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide

3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide (PubChem CID 110125695) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
PubChem CID110125695
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2cn(C)nc2C)[C@H]1O
InChIInChI=1S/C16H27N3O3/c1-11-12(10-18(2)17-11)8-9-15(20)19(3)13-6-5-7-14(22-4)16(13)21/h10,13-14,16,21H,5-9H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyKGMRYEYKOPQWFC-IIAWOOMASA-N
XLogP1.05
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide (CID 110125695) is 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide is CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2cn(C)nc2C)[C@H]1O.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide?
The InChIKey is KGMRYEYKOPQWFC-IIAWOOMASA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11-12(10-18(2)17-11)8-9-15(20)19(3)13-6-5-7-14(22-4)16(13)21/h10,13-14,16,21H,5-9H2,1-4H3/t13-,14-,16-/m1/s1.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide?
3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide has a molecular weight of 309.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide is sourced from PubChem (CID 110125695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).