2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

C14H18N4OS — CID 61116908

IUPAC2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)Cn2cc(N)cn2)cc1
InChIInChI=1S/C14H18N4OS/c1-17(8-11-3-5-13(20-2)6-4-11)14(19)10-18-9-12(15)7-16-18/h3-7,9H,8,10,15H2,1-2H3
InChIKeyQDNGRVJAWPATSS-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.85
Rot. Bonds5

About 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 61116908) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID61116908
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)Cn2cc(N)cn2)cc1
InChIInChI=1S/C14H18N4OS/c1-17(8-11-3-5-13(20-2)6-4-11)14(19)10-18-9-12(15)7-16-18/h3-7,9H,8,10,15H2,1-2H3
InChIKeyQDNGRVJAWPATSS-UHFFFAOYSA-N
XLogP1.85
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 61116908) is 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CN(C)C(=O)Cn2cc(N)cn2)cc1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is QDNGRVJAWPATSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-17(8-11-3-5-13(20-2)6-4-11)14(19)10-18-9-12(15)7-16-18/h3-7,9H,8,10,15H2,1-2H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 61116908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).