N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide

C12H19N3O2 — CID 166198490

IUPACN-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NOC1CCCC1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-11(7-8-13-15)12(16)14-17-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,14,16)
InChIKeyUOZJGDABKHBSSD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.07
Rot. Bonds4

About N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide

N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166198490) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID166198490
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NOC1CCCC1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-11(7-8-13-15)12(16)14-17-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,14,16)
InChIKeyUOZJGDABKHBSSD-UHFFFAOYSA-N
XLogP2.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide (CID 166198490) is N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is UOZJGDABKHBSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)15-11(7-8-13-15)12(16)14-17-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide?
N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166198490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).