N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide

C9H13N3O3 — CID 166513197

IUPACN-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
SMILESCCn1cc(NC=O)c(OC2COC2)n1
InChIInChI=1S/C9H13N3O3/c1-2-12-3-8(10-6-13)9(11-12)15-7-4-14-5-7/h3,6-7H,2,4-5H2,1H3,(H,10,13)
InChIKeyGQUXPWBSTKDOGR-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.25
Rot. Bonds5

About N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide

N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide (PubChem CID 166513197) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
PubChem CID166513197
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
SMILESCCn1cc(NC=O)c(OC2COC2)n1
InChIInChI=1S/C9H13N3O3/c1-2-12-3-8(10-6-13)9(11-12)15-7-4-14-5-7/h3,6-7H,2,4-5H2,1H3,(H,10,13)
InChIKeyGQUXPWBSTKDOGR-UHFFFAOYSA-N
XLogP0.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
The IUPAC name of N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide (CID 166513197) is N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide.
What is the SMILES notation for N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
The canonical SMILES for N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide is CCn1cc(NC=O)c(OC2COC2)n1.
What is the InChIKey of N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
The InChIKey is GQUXPWBSTKDOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-12-3-8(10-6-13)9(11-12)15-7-4-14-5-7/h3,6-7H,2,4-5H2,1H3,(H,10,13).
What are the key properties of N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide has a molecular weight of 211.22 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide is sourced from PubChem (CID 166513197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).