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

C18H33N5O — CID 51105240

IUPACN-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
SMILESCC(C)C1=NN(C(=C1CNCCC(=O)NC2CCCC2)N(C)C)C
InChIInChI=1S/C18H33N5O/c1-13(2)17-15(18(22(3)4)23(5)21-17)12-19-11-10-16(24)20-14-8-6-7-9-14/h13-14,19H,6-12H2,1-5H3,(H,20,24)
InChIKeyZUEVJSMBIAMHKW-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.30
Rot. Bonds8

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

N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide (PubChem CID 51105240) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
PubChem CID51105240
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC NameN-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
SMILESCC(C)C1=NN(C(=C1CNCCC(=O)NC2CCCC2)N(C)C)C
InChIInChI=1S/C18H33N5O/c1-13(2)17-15(18(22(3)4)23(5)21-17)12-19-11-10-16(24)20-14-8-6-7-9-14/h13-14,19H,6-12H2,1-5H3,(H,20,24)
InChIKeyZUEVJSMBIAMHKW-UHFFFAOYSA-N
XLogP2.30
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity395

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]azepan-2-one
CID 51104977
1-[4-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104980
N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105188
N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105189
N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105239
N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51105444
3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide
CID 51105446
4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539239
N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
CID 53540028
N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 53540365
1-cyclopropyl-N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]piperidin-4-amine
CID 53544281
N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]acetamide
CID 53584323

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide (CID 51105240) is N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide is CC(C)C1=NN(C(=C1CNCCC(=O)NC2CCCC2)N(C)C)C.
What is the InChIKey of N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
The InChIKey is ZUEVJSMBIAMHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-13(2)17-15(18(22(3)4)23(5)21-17)12-19-11-10-16(24)20-14-8-6-7-9-14/h13-14,19H,6-12H2,1-5H3,(H,20,24).
What are the key properties of N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide?
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide has a molecular weight of 335.50 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide is sourced from PubChem (CID 51105240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).