N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C21H31N3O3 — CID 170508082

IUPACN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2c(C)nn(CCC)c2C)c(=O)o1
InChIInChI=1S/C21H31N3O3/c1-7-9-13(3)18-11-14(4)19(21(26)27-18)20(25)22-12-17-15(5)23-24(10-8-2)16(17)6/h11,13H,7-10,12H2,1-6H3,(H,22,25)
InChIKeyCIMOWLPLMNORMI-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.01
Rot. Bonds8

About N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 170508082) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID170508082
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2c(C)nn(CCC)c2C)c(=O)o1
InChIInChI=1S/C21H31N3O3/c1-7-9-13(3)18-11-14(4)19(21(26)27-18)20(25)22-12-17-15(5)23-24(10-8-2)16(17)6/h11,13H,7-10,12H2,1-6H3,(H,22,25)
InChIKeyCIMOWLPLMNORMI-UHFFFAOYSA-N
XLogP4.01
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide
CID 170506646
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72939783
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
CID 170503893
4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide
CID 170502133
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77098232
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 72902943
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
CID 115696021
methyl 2-[4-(4-methyl-2-oxo-6-pentan-2-ylpyran-3-carbonyl)piperazin-1-yl]acetate
CID 170505504
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91761725
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide
CID 118776566
4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170505762
N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170507977

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 170508082) is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NCc2c(C)nn(CCC)c2C)c(=O)o1.
What is the InChIKey of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is CIMOWLPLMNORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-7-9-13(3)18-11-14(4)19(21(26)27-18)20(25)22-12-17-15(5)23-24(10-8-2)16(17)6/h11,13H,7-10,12H2,1-6H3,(H,22,25).
What are the key properties of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 170508082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).