N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide

C21H29N3O2 — CID 55717575

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC1CCCCC1OCCNC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H29N3O2/c1-17-7-5-6-10-20(17)26-14-13-22-21(25)12-11-18-15-23-24(16-18)19-8-3-2-4-9-19/h2-4,8-9,15-17,20H,5-7,10-14H2,1H3,(H,22,25)
InChIKeyCPDAOAMLTFFXIY-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.52
Rot. Bonds8

About N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 55717575) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID55717575
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC1CCCCC1OCCNC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H29N3O2/c1-17-7-5-6-10-20(17)26-14-13-22-21(25)12-11-18-15-23-24(16-18)19-8-3-2-4-9-19/h2-4,8-9,15-17,20H,5-7,10-14H2,1H3,(H,22,25)
InChIKeyCPDAOAMLTFFXIY-UHFFFAOYSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51948680
N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
N-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717389
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 29261722
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide
CID 55779851
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
methyl 4-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
CID 55808660
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031247

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 55717575) is N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide is CC1CCCCC1OCCNC(=O)CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is CPDAOAMLTFFXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-17-7-5-6-10-20(17)26-14-13-22-21(25)12-11-18-15-23-24(16-18)19-8-3-2-4-9-19/h2-4,8-9,15-17,20H,5-7,10-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 355.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55717575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).