N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide

C15H23N3O2 — CID 71687063

IUPACN-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide
SMILESCc1cc(C)n(CC(=O)N(CC2CCOC2)C2CC2)n1
InChIInChI=1S/C15H23N3O2/c1-11-7-12(2)18(16-11)9-15(19)17(14-3-4-14)8-13-5-6-20-10-13/h7,13-14H,3-6,8-10H2,1-2H3
InChIKeyGFLUIHHWMBQMGS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.53
Rot. Bonds5

About N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide

N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 71687063) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide
PubChem CID71687063
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide
SMILESCc1cc(C)n(CC(=O)N(CC2CCOC2)C2CC2)n1
InChIInChI=1S/C15H23N3O2/c1-11-7-12(2)18(16-11)9-15(19)17(14-3-4-14)8-13-5-6-20-10-13/h7,13-14H,3-6,8-10H2,1-2H3
InChIKeyGFLUIHHWMBQMGS-UHFFFAOYSA-N
XLogP1.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide (CID 71687063) is N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide is Cc1cc(C)n(CC(=O)N(CC2CCOC2)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is GFLUIHHWMBQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-7-12(2)18(16-11)9-15(19)17(14-3-4-14)8-13-5-6-20-10-13/h7,13-14H,3-6,8-10H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide?
N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 71687063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).