N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide

C15H19N3O2S — CID 103767403

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NCCSCCCO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3O2S/c19-10-2-11-21-12-8-16-15(20)13-3-5-14(6-4-13)18-9-1-7-17-18/h1,3-7,9,19H,2,8,10-12H2,(H,16,20)
InChIKeyNDOSPCWPMUECPT-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.72
Rot. Bonds8

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 103767403) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide
PubChem CID103767403
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NCCSCCCO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3O2S/c19-10-2-11-21-12-8-16-15(20)13-3-5-14(6-4-13)18-9-1-7-17-18/h1,3-7,9,19H,2,8,10-12H2,(H,16,20)
InChIKeyNDOSPCWPMUECPT-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylsulfanylethyl)-4-pyrazol-1-ylbenzamide
CID 9483024
N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyrazol-1-ylbenzamide
CID 9259084
1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 114171220
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 18157119
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767468
4-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534837
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide (CID 103767403) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide is O=C(NCCSCCCO)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is NDOSPCWPMUECPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-10-2-11-21-12-8-16-15(20)13-3-5-14(6-4-13)18-9-1-7-17-18/h1,3-7,9,19H,2,8,10-12H2,(H,16,20).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 305.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 103767403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).