1-(2-methyloxan-4-yl)pyrazole-4-carboxamide

C10H15N3O2 — CID 164945759

IUPAC1-(2-methyloxan-4-yl)pyrazole-4-carboxamide
SMILESCC1CC(n2cc(C(N)=O)cn2)CCO1
InChIInChI=1S/C10H15N3O2/c1-7-4-9(2-3-15-7)13-6-8(5-12-13)10(11)14/h5-7,9H,2-4H2,1H3,(H2,11,14)
InChIKeyXQTZFNXGCHVCJX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.72
Rot. Bonds2

About 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide

1-(2-methyloxan-4-yl)pyrazole-4-carboxamide (PubChem CID 164945759) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methyloxan-4-yl)pyrazole-4-carboxamide
PubChem CID164945759
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(2-methyloxan-4-yl)pyrazole-4-carboxamide
SMILESCC1CC(n2cc(C(N)=O)cn2)CCO1
InChIInChI=1S/C10H15N3O2/c1-7-4-9(2-3-15-7)13-6-8(5-12-13)10(11)14/h5-7,9H,2-4H2,1H3,(H2,11,14)
InChIKeyXQTZFNXGCHVCJX-UHFFFAOYSA-N
XLogP0.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide (CID 164945759) is 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide is CC1CC(n2cc(C(N)=O)cn2)CCO1.
What is the InChIKey of 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide?
The InChIKey is XQTZFNXGCHVCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-4-9(2-3-15-7)13-6-8(5-12-13)10(11)14/h5-7,9H,2-4H2,1H3,(H2,11,14).
What are the key properties of 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide?
1-(2-methyloxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 164945759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).