N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide

C13H17N5O2 — CID 71810238

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C13H17N5O2/c19-13(10-17-5-1-4-14-17)16-11-8-15-18(9-11)12-2-6-20-7-3-12/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,16,19)
InChIKeyWTVMTTAACBRAHH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.07
Rot. Bonds4

About N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide (PubChem CID 71810238) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide
PubChem CID71810238
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C13H17N5O2/c19-13(10-17-5-1-4-14-17)16-11-8-15-18(9-11)12-2-6-20-7-3-12/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,16,19)
InChIKeyWTVMTTAACBRAHH-UHFFFAOYSA-N
XLogP1.07
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide (CID 71810238) is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is WTVMTTAACBRAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-13(10-17-5-1-4-14-17)16-11-8-15-18(9-11)12-2-6-20-7-3-12/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,16,19).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 275.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 71810238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).