3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide

C17H27N5O2 — CID 78713882

IUPAC3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCC2CCCC2)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C17H27N5O2/c1-11-10-16(24)20-17(18-11)22-14(9-12(2)21-22)19-15(23)8-7-13-5-3-4-6-13/h9,11,13,17-18H,3-8,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyPFMKESLGPCODSN-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.05
Rot. Bonds5

About 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide

3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide (PubChem CID 78713882) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide
PubChem CID78713882
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCC2CCCC2)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C17H27N5O2/c1-11-10-16(24)20-17(18-11)22-14(9-12(2)21-22)19-15(23)8-7-13-5-3-4-6-13/h9,11,13,17-18H,3-8,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyPFMKESLGPCODSN-UHFFFAOYSA-N
XLogP2.05
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
CID 156591279
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 78714002
2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 74512880
3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide
CID 74801890
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 74908550
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438
2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713973
5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713976
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide
CID 74797561
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 74711447

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide (CID 78713882) is 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide is Cc1cc(NC(=O)CCC2CCCC2)n(C2NC(=O)CC(C)N2)n1.
What is the InChIKey of 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide?
The InChIKey is PFMKESLGPCODSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11-10-16(24)20-17(18-11)22-14(9-12(2)21-22)19-15(23)8-7-13-5-3-4-6-13/h9,11,13,17-18H,3-8,10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide?
3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide has a molecular weight of 333.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 78713882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).