N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide

C13H15N3O2S — CID 54910799

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCc1n[nH]c(C)c1NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C13H15N3O2S/c1-8-13(9(2)16-15-8)14-12(18)7-19-11-5-3-10(17)4-6-11/h3-6,17H,7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyCSEJZMPILULJAO-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.46
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 54910799) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID54910799
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCc1n[nH]c(C)c1NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C13H15N3O2S/c1-8-13(9(2)16-15-8)14-12(18)7-19-11-5-3-10(17)4-6-11/h3-6,17H,7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyCSEJZMPILULJAO-UHFFFAOYSA-N
XLogP2.46
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4791415
2-(4-aminophenyl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43299294
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide
CID 71924247
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43546433
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300317
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4825893
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-hydroxyphenoxy)acetamide
CID 43546519
3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238065
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 135990153
2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide
CID 63427942
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 78762696

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide (CID 54910799) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide is Cc1n[nH]c(C)c1NC(=O)CSc1ccc(O)cc1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is CSEJZMPILULJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-13(9(2)16-15-8)14-12(18)7-19-11-5-3-10(17)4-6-11/h3-6,17H,7H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 277.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 54910799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).