N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide

C13H21N3O2 — CID 49331906

IUPACN-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)NCC1CCCCO1
InChIInChI=1S/C13H21N3O2/c17-13(6-3-8-16-9-4-7-15-16)14-11-12-5-1-2-10-18-12/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,14,17)
InChIKeyASHVRLRKVUXLON-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.35
Rot. Bonds6

About N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide

N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide (PubChem CID 49331906) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide
PubChem CID49331906
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)NCC1CCCCO1
InChIInChI=1S/C13H21N3O2/c17-13(6-3-8-16-9-4-7-15-16)14-11-12-5-1-2-10-18-12/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,14,17)
InChIKeyASHVRLRKVUXLON-UHFFFAOYSA-N
XLogP1.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide (CID 49331906) is N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide is O=C(CCCn1cccn1)NCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide?
The InChIKey is ASHVRLRKVUXLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-13(6-3-8-16-9-4-7-15-16)14-11-12-5-1-2-10-18-12/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,14,17).
What are the key properties of N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide?
N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 49331906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).