[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C18H23N3O2 — CID 4863134

IUPAC[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc(OCn2ccc(C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-14(2)15-5-7-16(8-6-15)23-13-21-12-9-17(19-21)18(22)20-10-3-4-11-20/h5-9,12,14H,3-4,10-11,13H2,1-2H3
InChIKeyHAYNILPPIXSSQR-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.28
Rot. Bonds5

About [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 4863134) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID4863134
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc(OCn2ccc(C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-14(2)15-5-7-16(8-6-15)23-13-21-12-9-17(19-21)18(22)20-10-3-4-11-20/h5-9,12,14H,3-4,10-11,13H2,1-2H3
InChIKeyHAYNILPPIXSSQR-UHFFFAOYSA-N
XLogP3.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 4863134) is [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is CC(C)c1ccc(OCn2ccc(C(=O)N3CCCC3)n2)cc1.
What is the InChIKey of [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HAYNILPPIXSSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(2)15-5-7-16(8-6-15)23-13-21-12-9-17(19-21)18(22)20-10-3-4-11-20/h5-9,12,14H,3-4,10-11,13H2,1-2H3.
What are the key properties of [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4863134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).