3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide

C19H27N3O2 — CID 111458533

IUPAC3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide
SMILESCCc1ccc(C(C)CC(=O)NCC(C)(O)c2cnn(C)c2)cc1
InChIInChI=1S/C19H27N3O2/c1-5-15-6-8-16(9-7-15)14(2)10-18(23)20-13-19(3,24)17-11-21-22(4)12-17/h6-9,11-12,14,24H,5,10,13H2,1-4H3,(H,20,23)
InChIKeyAPWZDQISDNCYID-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.50
Rot. Bonds7

About 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide

3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide (PubChem CID 111458533) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide
PubChem CID111458533
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide
SMILESCCc1ccc(C(C)CC(=O)NCC(C)(O)c2cnn(C)c2)cc1
InChIInChI=1S/C19H27N3O2/c1-5-15-6-8-16(9-7-15)14(2)10-18(23)20-13-19(3,24)17-11-21-22(4)12-17/h6-9,11-12,14,24H,5,10,13H2,1-4H3,(H,20,23)
InChIKeyAPWZDQISDNCYID-UHFFFAOYSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide
CID 111825776
1-[2-(4-ethylphenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458114
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458419
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458653
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-phenylbutyl)urea
CID 111459062
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide (CID 111458533) is 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide is CCc1ccc(C(C)CC(=O)NCC(C)(O)c2cnn(C)c2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide?
The InChIKey is APWZDQISDNCYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-15-6-8-16(9-7-15)14(2)10-18(23)20-13-19(3,24)17-11-21-22(4)12-17/h6-9,11-12,14,24H,5,10,13H2,1-4H3,(H,20,23).
What are the key properties of 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide?
3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide has a molecular weight of 329.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide is sourced from PubChem (CID 111458533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).