3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide

C17H25N5O2 — CID 71865679

IUPAC3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1cc(CNC(=O)N2CCC(Cc3cnn(C)c3)C2)on1
InChIInChI=1S/C17H25N5O2/c1-12(2)16-7-15(24-20-16)9-18-17(23)22-5-4-13(11-22)6-14-8-19-21(3)10-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,23)
InChIKeyURDDAJCXPSPVBT-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.31
Rot. Bonds5

About 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide

3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71865679) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71865679
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1cc(CNC(=O)N2CCC(Cc3cnn(C)c3)C2)on1
InChIInChI=1S/C17H25N5O2/c1-12(2)16-7-15(24-20-16)9-18-17(23)22-5-4-13(11-22)6-14-8-19-21(3)10-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,23)
InChIKeyURDDAJCXPSPVBT-UHFFFAOYSA-N
XLogP2.31
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide 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 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide (CID 71865679) is 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide is CC(C)c1cc(CNC(=O)N2CCC(Cc3cnn(C)c3)C2)on1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is URDDAJCXPSPVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)16-7-15(24-20-16)9-18-17(23)22-5-4-13(11-22)6-14-8-19-21(3)10-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,23).
What are the key properties of 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71865679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).