5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

C18H33N3O2 — CID 162665317

IUPAC5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1CC(C)(C)C
InChIInChI=1S/C18H33N3O2/c1-7-8-9-10-21-14(12-17(2,3)4)11-15(20-21)16(23)19-18(5,6)13-22/h11,22H,7-10,12-13H2,1-6H3,(H,19,23)
InChIKeyAJQROFJZGWHIMH-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.16
Rot. Bonds8

About 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (PubChem CID 162665317) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
PubChem CID162665317
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1CC(C)(C)C
InChIInChI=1S/C18H33N3O2/c1-7-8-9-10-21-14(12-17(2,3)4)11-15(20-21)16(23)19-18(5,6)13-22/h11,22H,7-10,12-13H2,1-6H3,(H,19,23)
InChIKeyAJQROFJZGWHIMH-UHFFFAOYSA-N
XLogP3.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide 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 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (CID 162665317) is 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)NC(C)(C)CO)cc1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The InChIKey is AJQROFJZGWHIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-7-8-9-10-21-14(12-17(2,3)4)11-15(20-21)16(23)19-18(5,6)13-22/h11,22H,7-10,12-13H2,1-6H3,(H,19,23).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is sourced from PubChem (CID 162665317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).