N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

C10H15N3O2 — CID 47327916

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C10H15N3O2/c1-8(14)12-9-5-11-13(6-9)7-10-3-2-4-15-10/h5-6,10H,2-4,7H2,1H3,(H,12,14)
InChIKeyFHZUDPYLYJXKKA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.02
Rot. Bonds3

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 47327916) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID47327916
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C10H15N3O2/c1-8(14)12-9-5-11-13(6-9)7-10-3-2-4-15-10/h5-6,10H,2-4,7H2,1H3,(H,12,14)
InChIKeyFHZUDPYLYJXKKA-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (CID 47327916) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is CC(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is FHZUDPYLYJXKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(14)12-9-5-11-13(6-9)7-10-3-2-4-15-10/h5-6,10H,2-4,7H2,1H3,(H,12,14).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide 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-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 47327916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).