N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide

C22H22N4O — CID 90620692

IUPACN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc2ncc(CCCNC(=O)Cc3cccc4ccccc34)cn2n1
InChIInChI=1S/C22H22N4O/c1-16-12-21-24-14-17(15-26(21)25-16)6-5-11-23-22(27)13-19-9-4-8-18-7-2-3-10-20(18)19/h2-4,7-10,12,14-15H,5-6,11,13H2,1H3,(H,23,27)
InChIKeyQRADNZUPPUFNGA-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.48
Rot. Bonds6

About N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide

N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide (PubChem CID 90620692) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
PubChem CID90620692
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc2ncc(CCCNC(=O)Cc3cccc4ccccc34)cn2n1
InChIInChI=1S/C22H22N4O/c1-16-12-21-24-14-17(15-26(21)25-16)6-5-11-23-22(27)13-19-9-4-8-18-7-2-3-10-20(18)19/h2-4,7-10,12,14-15H,5-6,11,13H2,1H3,(H,23,27)
InChIKeyQRADNZUPPUFNGA-UHFFFAOYSA-N
XLogP3.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90620527
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-(4-propan-2-ylsulfanylphenyl)acetamide
CID 73168295
3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620660
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-pyrazol-1-ylacetamide
CID 90620641
6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide
CID 90620619
2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620524
1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea
CID 90620739
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
CID 90620614

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide (CID 90620692) is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide is Cc1cc2ncc(CCCNC(=O)Cc3cccc4ccccc34)cn2n1.
What is the InChIKey of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide?
The InChIKey is QRADNZUPPUFNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-12-21-24-14-17(15-26(21)25-16)6-5-11-23-22(27)13-19-9-4-8-18-7-2-3-10-20(18)19/h2-4,7-10,12,14-15H,5-6,11,13H2,1H3,(H,23,27).
What are the key properties of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide?
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide has a molecular weight of 358.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 90620692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).