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

C26H34N4O2 — CID 71681038

IUPACN-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C26H34N4O2/c1-3-4-9-16-29-18-22(25(31)27-21-10-7-5-6-8-11-21)26(32)30-24(29)17-23(28-30)20-14-12-19(2)13-15-20/h12-15,17-18,21H,3-11,16H2,1-2H3,(H,27,31)
InChIKeyWKNAGULJPIOHGJ-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.11
Rot. Bonds7

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

N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71681038) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71681038
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C26H34N4O2/c1-3-4-9-16-29-18-22(25(31)27-21-10-7-5-6-8-11-21)26(32)30-24(29)17-23(28-30)20-14-12-19(2)13-15-20/h12-15,17-18,21H,3-11,16H2,1-2H3,(H,27,31)
InChIKeyWKNAGULJPIOHGJ-UHFFFAOYSA-N
XLogP5.11
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.11
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

5-(Benzylamino-methyl)-1-phenyl-3-p-tolyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135418010
4-Ethyl-4,7-dihydro-2-phenylpyrazolo(1,5-a)pyrimidin-7-one
CID 135819
2-(5-butyl-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-phenylacetamide
CID 2813828
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 16026498
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
CID 16026504
2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 16026618
2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-methylbutyl)propanamide
CID 16026622
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 16026652
N-cyclohexyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680721
N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680722
N-(1-adamantyl)-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680878
N-cyclohexyl-2-(2-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680879

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71681038) is N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccc(C)cc3)cc12.
What is the InChIKey of N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WKNAGULJPIOHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-3-4-9-16-29-18-22(25(31)27-21-10-7-5-6-8-11-21)26(32)30-24(29)17-23(28-30)20-14-12-19(2)13-15-20/h12-15,17-18,21H,3-11,16H2,1-2H3,(H,27,31).
What are the key properties of N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71681038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).