N-cyclopentyloxy-1-methylpyrazole-4-carboxamide

C10H15N3O2 — CID 83206502

IUPACN-cyclopentyloxy-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NOC2CCCC2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-7-8(6-11-13)10(14)12-15-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,12,14)
InChIKeyFSHYHXSWULBMDW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.02
Rot. Bonds3

About N-cyclopentyloxy-1-methylpyrazole-4-carboxamide

N-cyclopentyloxy-1-methylpyrazole-4-carboxamide (PubChem CID 83206502) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-cyclopentyloxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-1-methylpyrazole-4-carboxamide
PubChem CID83206502
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-cyclopentyloxy-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NOC2CCCC2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-7-8(6-11-13)10(14)12-15-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,12,14)
InChIKeyFSHYHXSWULBMDW-UHFFFAOYSA-N
XLogP1.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.02
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-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyloxy-1-methylpyrazole-4-carboxamide (CID 83206502) is N-cyclopentyloxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyloxy-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NOC2CCCC2)cn1.
What is the InChIKey of N-cyclopentyloxy-1-methylpyrazole-4-carboxamide?
The InChIKey is FSHYHXSWULBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-7-8(6-11-13)10(14)12-15-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,12,14).
What are the key properties of N-cyclopentyloxy-1-methylpyrazole-4-carboxamide?
N-cyclopentyloxy-1-methylpyrazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 83206502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).