N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide

C20H27N3O2 — CID 97212156

IUPACN-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide
SMILESCc1c([C@H](C)NC(=O)CC[C@H]2CCCCO2)cnn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-15(22-20(24)12-11-18-10-6-7-13-25-18)19-14-21-23(16(19)2)17-8-4-3-5-9-17/h3-5,8-9,14-15,18H,6-7,10-13H2,1-2H3,(H,22,24)/t15-,18+/m0/s1
InChIKeyGOKRRWCDLUVHEF-MAUKXSAKSA-N
MW341.45 g/mol
LogP3.71
Rot. Bonds6

About N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide

N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide (PubChem CID 97212156) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide
PubChem CID97212156
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide
SMILESCc1c([C@H](C)NC(=O)CC[C@H]2CCCCO2)cnn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-15(22-20(24)12-11-18-10-6-7-13-25-18)19-14-21-23(16(19)2)17-8-4-3-5-9-17/h3-5,8-9,14-15,18H,6-7,10-13H2,1-2H3,(H,22,24)/t15-,18+/m0/s1
InChIKeyGOKRRWCDLUVHEF-MAUKXSAKSA-N
XLogP3.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide
CID 45239752
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 42566503
3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
CID 47089574
(3R)-3-(2-methylphenyl)-3-[3-[(2S)-oxan-2-yl]propanoylamino]propanoic acid
CID 124693717
N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-oxo-4-phenylbutanamide
CID 97145584
3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331880
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
4-[3-(oxan-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201385
3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 95150313
(2R)-3-methyl-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 79010668

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide (CID 97212156) is N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide is Cc1c([C@H](C)NC(=O)CC[C@H]2CCCCO2)cnn1-c1ccccc1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide?
The InChIKey is GOKRRWCDLUVHEF-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(22-20(24)12-11-18-10-6-7-13-25-18)19-14-21-23(16(19)2)17-8-4-3-5-9-17/h3-5,8-9,14-15,18H,6-7,10-13H2,1-2H3,(H,22,24)/t15-,18+/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide?
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide is sourced from PubChem (CID 97212156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).