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

C22H28N4O3 — CID 71681348

IUPACN-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccco3)cc12
InChIInChI=1S/C22H28N4O3/c1-2-3-7-12-25-15-17(21(27)23-16-9-5-4-6-10-16)22(28)26-20(25)14-18(24-26)19-11-8-13-29-19/h8,11,13-16H,2-7,9-10,12H2,1H3,(H,23,27)
InChIKeyBSCFQWLVUOTQPC-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.01
Rot. Bonds7

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

N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71681348) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71681348
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccco3)cc12
InChIInChI=1S/C22H28N4O3/c1-2-3-7-12-25-15-17(21(27)23-16-9-5-4-6-10-16)22(28)26-20(25)14-18(24-26)19-11-8-13-29-19/h8,11,13-16H,2-7,9-10,12H2,1H3,(H,23,27)
InChIKeyBSCFQWLVUOTQPC-UHFFFAOYSA-N
XLogP4.01
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.01
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

2-(furan-2-yl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939586
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (4-ethoxy-phenyl)-amide
CID 645018
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl-phenyl-amide
CID 654439
N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681349
N-(1-adamantyl)-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681350
5-(2-furyl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3245996
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523385
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (4-methoxy-phenyl)-amide
CID 651321
[5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroi n-2-yl)]-N-(methylethyl)carboxamide
CID 3148191
1-{[5-(2-furyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhyd roin-2-yl]carbonyl}piperidine-4-carboxamide
CID 3148222
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-2,6-difluorobenzamide
CID 135955410
[4-(4-Fluorophenyl)piperazin-1-yl]-[7-(furan-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135844004

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71681348) is N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccco3)cc12.
What is the InChIKey of N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BSCFQWLVUOTQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-2-3-7-12-25-15-17(21(27)23-16-9-5-4-6-10-16)22(28)26-20(25)14-18(24-26)19-11-8-13-29-19/h8,11,13-16H,2-7,9-10,12H2,1H3,(H,23,27).
What are the key properties of N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71681348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).