N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide

C15H19N3O2 — CID 95121862

IUPACN-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(-n2cc(CCO)cn2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(17-12(2)20)14-3-5-15(6-4-14)18-10-13(7-8-19)9-16-18/h3-6,9-11,19H,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyVIWODXBMJRGLTI-NSHDSACASA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds5

About N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide

N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide (PubChem CID 95121862) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide
PubChem CID95121862
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(-n2cc(CCO)cn2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(17-12(2)20)14-3-5-15(6-4-14)18-10-13(7-8-19)9-16-18/h3-6,9-11,19H,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyVIWODXBMJRGLTI-NSHDSACASA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1-phenylethyl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110950057
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 18143612
1-ethyl-3-(1-phenylethyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110950059
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 111504369
2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol
CID 50949483
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46685666
3-[1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 83894149
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 86970018
N-[(1R)-1-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 95147611

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide (CID 95121862) is N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(-n2cc(CCO)cn2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide?
The InChIKey is VIWODXBMJRGLTI-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(17-12(2)20)14-3-5-15(6-4-14)18-10-13(7-8-19)9-16-18/h3-6,9-11,19H,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide?
N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide is sourced from PubChem (CID 95121862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).