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

C19H35N5O — CID 51105189

IUPACN-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCCC(=O)NC1CCCCC1
InChIInChI=1S/C19H35N5O/c1-14(2)18-16(19(23(3)4)24(5)22-18)13-20-12-11-17(25)21-15-9-7-6-8-10-15/h14-15,20H,6-13H2,1-5H3,(H,21,25)
InChIKeyIYEAQXSUEFOKPU-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.54
Rot. Bonds8

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

N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide (PubChem CID 51105189) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
PubChem CID51105189
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC NameN-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCCC(=O)NC1CCCCC1
InChIInChI=1S/C19H35N5O/c1-14(2)18-16(19(23(3)4)24(5)22-18)13-20-12-11-17(25)21-15-9-7-6-8-10-15/h14-15,20H,6-13H2,1-5H3,(H,21,25)
InChIKeyIYEAQXSUEFOKPU-UHFFFAOYSA-N
XLogP2.54
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.54
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-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide (CID 51105189) is N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide is CC(C)c1nn(C)c(N(C)C)c1CNCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
The InChIKey is IYEAQXSUEFOKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-14(2)18-16(19(23(3)4)24(5)22-18)13-20-12-11-17(25)21-15-9-7-6-8-10-15/h14-15,20H,6-13H2,1-5H3,(H,21,25).
What are the key properties of N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide has a molecular weight of 349.52 g/mol, XLogP of 2.54, 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-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide is sourced from PubChem (CID 51105189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).