N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide

C18H23N3O4 — CID 973802

IUPACN-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)Cn2nc(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C18H23N3O4/c1-11-18(13(3)22)12(2)21(20-11)9-16(24)10-25-17-7-5-15(6-8-17)19-14(4)23/h5-8,16,24H,9-10H2,1-4H3,(H,19,23)/t16-/m0/s1
InChIKeyKTMQMKZIALYGAG-INIZCTEOSA-N
MW345.40 g/mol
LogP2.10
Rot. Bonds7

About N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide

N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 973802) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
PubChem CID973802
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)Cn2nc(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C18H23N3O4/c1-11-18(13(3)22)12(2)21(20-11)9-16(24)10-25-17-7-5-15(6-8-17)19-14(4)23/h5-8,16,24H,9-10H2,1-4H3,(H,19,23)/t16-/m0/s1
InChIKeyKTMQMKZIALYGAG-INIZCTEOSA-N
XLogP2.10
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973812
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 86807083
1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 4919023
N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide
CID 18552694
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
N-[4-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
ethyl 4-[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 7126214
ethyl 4-[3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 44891568
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide (CID 973802) is N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@@H](O)Cn2nc(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is KTMQMKZIALYGAG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11-18(13(3)22)12(2)21(20-11)9-16(24)10-25-17-7-5-15(6-8-17)19-14(4)23/h5-8,16,24H,9-10H2,1-4H3,(H,19,23)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 973802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).