3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide

C17H33N5O — CID 56822598

IUPAC3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide
SMILESCc1nn(CC(C)C)c(N(C)C)c1CNCCC(=O)NC(C)C
InChIInChI=1S/C17H33N5O/c1-12(2)11-22-17(21(6)7)15(14(5)20-22)10-18-9-8-16(23)19-13(3)4/h12-13,18H,8-11H2,1-7H3,(H,19,23)
InChIKeyXTBWVEVHQDCPFW-UHFFFAOYSA-N
MW323.49 g/mol
LogP1.92
Rot. Bonds9

About 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide

3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide (PubChem CID 56822598) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide
PubChem CID56822598
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide
SMILESCc1nn(CC(C)C)c(N(C)C)c1CNCCC(=O)NC(C)C
InChIInChI=1S/C17H33N5O/c1-12(2)11-22-17(21(6)7)15(14(5)20-22)10-18-9-8-16(23)19-13(3)4/h12-13,18H,8-11H2,1-7H3,(H,19,23)
InChIKeyXTBWVEVHQDCPFW-UHFFFAOYSA-N
XLogP1.92
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 51.92
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 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide (CID 56822598) is 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide is Cc1nn(CC(C)C)c(N(C)C)c1CNCCC(=O)NC(C)C.
What is the InChIKey of 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide?
The InChIKey is XTBWVEVHQDCPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O/c1-12(2)11-22-17(21(6)7)15(14(5)20-22)10-18-9-8-16(23)19-13(3)4/h12-13,18H,8-11H2,1-7H3,(H,19,23).
What are the key properties of 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide?
3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide has a molecular weight of 323.49 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 56822598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).