N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H24N4O2 — CID 4317033

IUPACN-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCCCOC)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C20H24N4O2/c1-3-8-18-16(20(25)21-11-7-12-26-2)14-22-19-13-17(23-24(18)19)15-9-5-4-6-10-15/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3,(H,21,25)
InChIKeyHXUIMRZUFGUGEE-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.12
Rot. Bonds8

About N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4317033) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4317033
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCCCOC)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C20H24N4O2/c1-3-8-18-16(20(25)21-11-7-12-26-2)14-22-19-13-17(23-24(18)19)15-9-5-4-6-10-15/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3,(H,21,25)
InChIKeyHXUIMRZUFGUGEE-UHFFFAOYSA-N
XLogP3.12
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.12
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

N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42659791
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7360415
7-(methoxymethyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3903244
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3651301
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
2,7-diphenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4023697
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643
N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877537
N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4024125

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 4317033) is N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCc1c(C(=O)NCCCOC)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HXUIMRZUFGUGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-8-18-16(20(25)21-11-7-12-26-2)14-22-19-13-17(23-24(18)19)15-9-5-4-6-10-15/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4317033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).