N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide

C18H32N4O2 — CID 51105187

IUPACN-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
SMILESCOc1c(CNCCC(=O)NC2CCCCC2)c(C(C)C)nn1C
InChIInChI=1S/C18H32N4O2/c1-13(2)17-15(18(24-4)22(3)21-17)12-19-11-10-16(23)20-14-8-6-5-7-9-14/h13-14,19H,5-12H2,1-4H3,(H,20,23)
InChIKeyABXGXBPZWYCXQE-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.48
Rot. Bonds8

About N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide

N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide (PubChem CID 51105187) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
PubChem CID51105187
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
SMILESCOc1c(CNCCC(=O)NC2CCCCC2)c(C(C)C)nn1C
InChIInChI=1S/C18H32N4O2/c1-13(2)17-15(18(24-4)22(3)21-17)12-19-11-10-16(23)20-14-8-6-5-7-9-14/h13-14,19H,5-12H2,1-4H3,(H,20,23)
InChIKeyABXGXBPZWYCXQE-UHFFFAOYSA-N
XLogP2.48
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide (CID 51105187) is N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide is COc1c(CNCCC(=O)NC2CCCCC2)c(C(C)C)nn1C.
What is the InChIKey of N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is ABXGXBPZWYCXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13(2)17-15(18(24-4)22(3)21-17)12-19-11-10-16(23)20-14-8-6-5-7-9-14/h13-14,19H,5-12H2,1-4H3,(H,20,23).
What are the key properties of N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 336.48 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 51105187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).