N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide

C16H29N5O — CID 51105239

IUPACN-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
SMILESCc1nn(C)c(N(C)C)c1CNCCC(=O)NC1CCCC1
InChIInChI=1S/C16H29N5O/c1-12-14(16(20(2)3)21(4)19-12)11-17-10-9-15(22)18-13-7-5-6-8-13/h13,17H,5-11H2,1-4H3,(H,18,22)
InChIKeyRMEJHHCQIRZOSJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.33
Rot. Bonds7

About N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide

N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide (PubChem CID 51105239) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
PubChem CID51105239
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
SMILESCc1nn(C)c(N(C)C)c1CNCCC(=O)NC1CCCC1
InChIInChI=1S/C16H29N5O/c1-12-14(16(20(2)3)21(4)19-12)11-17-10-9-15(22)18-13-7-5-6-8-13/h13,17H,5-11H2,1-4H3,(H,18,22)
InChIKeyRMEJHHCQIRZOSJ-UHFFFAOYSA-N
XLogP1.33
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide (CID 51105239) is N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide is Cc1nn(C)c(N(C)C)c1CNCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide?
The InChIKey is RMEJHHCQIRZOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-12-14(16(20(2)3)21(4)19-12)11-17-10-9-15(22)18-13-7-5-6-8-13/h13,17H,5-11H2,1-4H3,(H,18,22).
What are the key properties of N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide?
N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide has a molecular weight of 307.44 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide is sourced from PubChem (CID 51105239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).