N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide

C19H21N5OS — CID 16613947

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2ncccn2)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N5OS/c1-19(2,3)15-12-16(24(23-15)14-8-5-4-6-9-14)22-17(25)13-26-18-20-10-7-11-21-18/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyGUFOFVKNSNTSSH-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.69
Rot. Bonds5

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 16613947) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID16613947
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2ncccn2)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N5OS/c1-19(2,3)15-12-16(24(23-15)14-8-5-4-6-9-14)22-17(25)13-26-18-20-10-7-11-21-18/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyGUFOFVKNSNTSSH-UHFFFAOYSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2125863
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CID 4854940
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CID 41431321
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CID 42730449
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
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CID 112786905
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 16613947) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide is CC(C)(C)c1cc(NC(=O)CSc2ncccn2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is GUFOFVKNSNTSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-19(2,3)15-12-16(24(23-15)14-8-5-4-6-9-14)22-17(25)13-26-18-20-10-7-11-21-18/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 367.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 16613947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).