N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H30N4O3 — CID 71681349

IUPACN-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccco3)cc12
InChIInChI=1S/C23H30N4O3/c1-2-3-8-13-26-16-18(22(28)24-17-10-6-4-5-7-11-17)23(29)27-21(26)15-19(25-27)20-12-9-14-30-20/h9,12,14-17H,2-8,10-11,13H2,1H3,(H,24,28)
InChIKeyBOQLWDKHJXEOTP-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.40
Rot. Bonds7

About N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71681349) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71681349
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccco3)cc12
InChIInChI=1S/C23H30N4O3/c1-2-3-8-13-26-16-18(22(28)24-17-10-6-4-5-7-11-17)23(29)27-21(26)15-19(25-27)20-12-9-14-30-20/h9,12,14-17H,2-8,10-11,13H2,1H3,(H,24,28)
InChIKeyBOQLWDKHJXEOTP-UHFFFAOYSA-N
XLogP4.40
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680722
N-cyclohexyl-2-(2-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680879
N-cyclohexyl-2-(2,4-dichlorophenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681196
2-tert-butyl-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680719
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71563028
N-cyclohexyl-2-[[2-(furan-2-yl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 27373732
N-(1-adamantyl)-2-(4-methylthiophen-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681502
N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 1053894
7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045909
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272581

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71681349) is N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccco3)cc12.
What is the InChIKey of N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BOQLWDKHJXEOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-2-3-8-13-26-16-18(22(28)24-17-10-6-4-5-7-11-17)23(29)27-21(26)15-19(25-27)20-12-9-14-30-20/h9,12,14-17H,2-8,10-11,13H2,1H3,(H,24,28).
What are the key properties of N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71681349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).