N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C21H26N4OS — CID 73168295

IUPACN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCc1cc2ncc(CCCNC(=O)Cc3ccc(SC(C)C)cc3)cn2n1
InChIInChI=1S/C21H26N4OS/c1-15(2)27-19-8-6-17(7-9-19)12-21(26)22-10-4-5-18-13-23-20-11-16(3)24-25(20)14-18/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,22,26)
InChIKeyFDSLOMNHTXSAFN-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.83
Rot. Bonds8

About N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 73168295) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID73168295
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCc1cc2ncc(CCCNC(=O)Cc3ccc(SC(C)C)cc3)cn2n1
InChIInChI=1S/C21H26N4OS/c1-15(2)27-19-8-6-17(7-9-19)12-21(26)22-10-4-5-18-13-23-20-11-16(3)24-25(20)14-18/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,22,26)
InChIKeyFDSLOMNHTXSAFN-UHFFFAOYSA-N
XLogP3.83
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
CID 90620692
2-benzylsulfanyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620539
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-pyrazol-1-ylacetamide
CID 90620641
2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620524
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
CID 90620614
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 119099345
3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620660
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90620527
6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide
CID 90620619
1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90620663

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 73168295) is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is Cc1cc2ncc(CCCNC(=O)Cc3ccc(SC(C)C)cc3)cn2n1.
What is the InChIKey of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is FDSLOMNHTXSAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-15(2)27-19-8-6-17(7-9-19)12-21(26)22-10-4-5-18-13-23-20-11-16(3)24-25(20)14-18/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,22,26).
What are the key properties of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 382.53 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 73168295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).