(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide

C19H33N3O2 — CID 164638260

IUPAC(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide
SMILESCCOCn1nc(C)c(C[C@H](C)C(=O)NC2(C)CCCCC2)c1C
InChIInChI=1S/C19H33N3O2/c1-6-24-13-22-16(4)17(15(3)21-22)12-14(2)18(23)20-19(5)10-8-7-9-11-19/h14H,6-13H2,1-5H3,(H,20,23)/t14-/m0/s1
InChIKeyIGWGODRGNLXZMB-AWEZNQCLSA-N
MW335.49 g/mol
LogP3.51
Rot. Bonds7

About (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide

(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide (PubChem CID 164638260) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide
PubChem CID164638260
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide
SMILESCCOCn1nc(C)c(C[C@H](C)C(=O)NC2(C)CCCCC2)c1C
InChIInChI=1S/C19H33N3O2/c1-6-24-13-22-16(4)17(15(3)21-22)12-14(2)18(23)20-19(5)10-8-7-9-11-19/h14H,6-13H2,1-5H3,(H,20,23)/t14-/m0/s1
InChIKeyIGWGODRGNLXZMB-AWEZNQCLSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide?
The IUPAC name of (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide (CID 164638260) is (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide.
What is the SMILES notation for (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide?
The canonical SMILES for (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide is CCOCn1nc(C)c(C[C@H](C)C(=O)NC2(C)CCCCC2)c1C.
What is the InChIKey of (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide?
The InChIKey is IGWGODRGNLXZMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-6-24-13-22-16(4)17(15(3)21-22)12-14(2)18(23)20-19(5)10-8-7-9-11-19/h14H,6-13H2,1-5H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide?
(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide has a molecular weight of 335.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide is sourced from PubChem (CID 164638260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).